 Entering Gaussian System, Link 0=g16
 Input=20_transdimethyltiirane_STD_B3LYPDBJ-def2TZVPDr.in
 Output=20_transdimethyltiirane_STD_B3LYPDBJ-def2TZVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2TZVPD.gbs
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               5253.2344745              0.95310527769D-02
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            S    8   1.00
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               5885.6618668              0.93943844255D-02
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                194.57803492             0.29004470954
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                 58.840299883           -0.11547027448
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            S    1   1.00
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                197.93040142             0.20076506686D-01
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            D    1   1.00
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            -Sc     0
            S    8   1.00
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              28723.8503630              0.17890329946D-02
               6537.0116490              0.92990401140D-02
               1850.3097171              0.37739438011D-01
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                216.17324766             0.28814821470
                 83.712517880            0.40517543099
                 32.908707189            0.20566019623
            S    4   1.00
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                 65.128920139           -0.11570158142
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                224.09699732             0.19742967060D-01
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            -Ti     0
            S    8   1.00
             211575.6902500              0.23318151011D-03
              31714.9450580              0.18079690851D-02
               7217.5476543              0.93984311352D-02
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            S    4   1.00
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            -V     0
            S    8   1.00
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              34828.8411700              0.17888178962D-02
               7926.5448691              0.92992490131D-02
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                262.32219631             0.28963508811
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                 40.064784617            0.21113610858
            S    4   1.00
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                280.23075192             0.19643454466D-01
                 89.643627137            0.90796949190D-01
                 33.242411253            0.25650768222
                 13.144514452            0.40815393750
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              38131.7970540              0.18142601800D-02
               8675.2930607              0.94363925721D-02
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                286.90021489             0.29489696029
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                309.25311441             0.19544041017D-01
                 98.996273963            0.90651794553D-01
                 36.756916451            0.25699279154
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            -Mn     0
            S    8   1.00
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              41550.7698900              0.17707650375D-02
               9455.9700152              0.92077209994D-02
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                312.98306420             0.28824392499
                121.44454051             0.41041600847
                 47.922598829            0.21372375145
            S    4   1.00
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                342.06551197             0.19369286864D-01
                109.58400891             0.90236108988D-01
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              10262.5163170              0.91927083490D-02
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                339.87832894             0.28818881468
                131.94425588             0.41126612677
                 52.111494077            0.21518583573
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                101.92332739            -0.11683089050
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                  6.8840675801           0.53601640182
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                375.38006499             0.19253154755D-01
                120.31816501             0.90021836536D-01
                 44.788749031            0.25798172356
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            S    8   1.00
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              48839.6364530              0.17499397533D-02
              11114.9373070              0.91003134097D-02
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                368.02508816             0.28598731649
                142.91229205             0.40908312004
                 56.482649209            0.21500145739
            S    4   1.00
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                409.91750438             0.19382999967D-01
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            ****
            -Ni     0
            S    8   1.00
             351535.7293500              0.22529386884D-03
              52695.8092830              0.17468616223D-02
              11992.4682930              0.90849992136D-02
               3394.5776689              0.36940748447D-01
               1105.3594585              0.12032819950
                397.14677769             0.28596715057
                154.27542974             0.40983020196
                 61.018723780            0.21620642851
            S    4   1.00
                384.45559739            -0.24651279268D-01
                119.04879199            -0.11658505277
                 19.137012223            0.54864126676
                  8.1526718562           0.52640051122
            S    2   1.00
                 12.579408642           -0.22797884293
                  2.0870866081           0.70703738215
            S    1   1.00
                  0.86432568555          1.0000000
            S    1   1.00
                  0.13283169217          1.0000000
            S    1   1.00
                  0.46845327726D-01      1.0000000
            P    6   1.00
               1883.0907486              0.23748258443D-02
                445.95155320             0.19289457172D-01
                143.08430815             0.90718211507D-01
                 53.372920722            0.26181414117
                 21.321919357            0.42309149832
                  8.6643561994           0.24641686015
            P    3   1.00
                 34.144255211           -0.29677129163D-01
                  4.7122455921           0.55616824096
                  1.8709231845           0.96357766460
            P    1   1.00
                  0.70370016267          1.0000000
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.36887339850D-01      1.0000000
            D    4   1.00
                 74.591603465            0.12077454672D-01
                 21.590632752            0.74637262154D-01
                  7.6246142580           0.23236775502
                  2.8632206762           0.39042651680
            D    1   1.00
                  1.0311063388            .39509498921
            D    1   1.00
                  0.33060760691           .21138769167
            D    1   1.00
                  0.1060000              1.0000000
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    8   1.00
             377518.7992300              0.22811766128D-03
              56589.9843110              0.17688035931D-02
              12878.7117060              0.91993460227D-02
               3645.3752143              0.37411016434D-01
               1187.0072945              0.12189873737
                426.46421902             0.28983900714
                165.70660164             0.41531872174
                 65.598942707            0.21905799287
            S    4   1.00
                414.41265811            -0.24682525053D-01
                128.32056039            -0.11716827406
                 20.622089750            0.55301315941
                  8.7821226045           0.52242718609
            S    2   1.00
                 13.741372006           -0.22736061821
                  2.2431246833           0.71761210873
            S    1   1.00
                  0.89370549079          1.0000000
            S    1   1.00
                  0.10836699534          1.0000000
            S    1   1.00
                  0.38806178058D-01      1.0000000
            P    6   1.00
               2034.7596692              0.23524822298D-02
                481.90468106             0.19134070751D-01
                154.67482963             0.90171105278D-01
                 57.740576969            0.26063284735
                 23.099052811            0.42093485770
                  9.3882478591           0.24344615121
            P    3   1.00
                 37.596171210           -0.28991094530D-01
                  5.1240690810           0.54919083831
                  2.0119996085           0.93793330488
            P    1   1.00
                  0.73860686002          1.0000000
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.34015997020D-01      1.0000000
            D    4   1.00
                 74.129460637            0.14363216676D-01
                 21.359842587            0.86628177096D-01
                  7.4995240537           0.25631430541
                  2.7601394169           0.40374062368
            D    1   1.00
                  0.95362061236           .39427042447
            D    1   1.00
                  0.28420862520           .23091146816
            D    1   1.00
                  0.0850000              1.0000000
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    8   1.00
             405924.3102800              0.22442017483D-03
              60846.9557350              0.17402086626D-02
              13847.3430920              0.90513339565D-02
               3919.6158551              0.36817341445D-01
               1276.3594167              0.12004850256
                458.67254435             0.28576057621
                178.28725246             0.41087462062
                 70.612192837            0.21816962456
            S    4   1.00
                443.88077950            -0.24934274984D-01
                137.55875267            -0.11817955766
                 22.268083479            0.55367318468
                  9.5217310606           0.52628934936
            S    2   1.00
                 14.874114065           -0.22929955254
                  2.4647517612           0.71135484742
            S    1   1.00
                  1.0113272238           1.0000000
            S    1   1.00
                  0.14919852089          1.0000000
            S    1   1.00
                  0.51441872981D-01      1.0000000
            P    6   1.00
               2205.3508534              0.23356240448D-02
                522.35300699             0.19031022634D-01
                167.73055542             0.89955758675D-01
                 62.670045373            0.26113248631
                 25.109749456            0.42348448173
                 10.225142681            0.24618926885
            P    3   1.00
                 40.713442521           -0.30029667592D-01
                  5.6247090696           0.55575254864
                  2.2279949116           0.95581013442
            P    1   1.00
                  0.83354741691          1.0000000
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.0477690              1.0000000
            P    1   1.00
                  0.21234841485D-01      1.0000000
            D    4   1.00
                 88.554315311            0.12728170015D-01
                 25.721525557            0.79394499843D-01
                  9.1278367624           0.24491506805
                  3.4312364064           0.40390526479
            D    1   1.00
                  1.2308920645            .40158491145
            D    1   1.00
                  0.39031845112           .21579805034
            D    1   1.00
                  0.1240000              1.0000000
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    8   1.00
             435548.6625400              0.23646329650D-03
              65289.5890310              0.18335271776D-02
              14858.7842560              0.95371863081D-02
               4205.9734729              0.38803412468D-01
               1369.6416431              0.12661604848
                492.30348905             0.30175310292
                191.41923233             0.43543934218
                 75.840558665            0.23282363780
            S    4   1.00
                474.30810613            -0.26743707958D-01
                147.10297560            -0.12654657542
                 23.982599435            0.58840346839
                 10.298230094            0.56324271589
            S    2   1.00
                 16.050381430           -0.24516439508
                  2.6988468784           0.74578049593
            S    1   1.00
                  1.1428588736           1.0000000
            S    1   1.00
                  0.20217652251          1.0000000
            S    1   1.00
                  0.71980152032D-01      1.0000000
            S    1   1.00
                  0.30102057284D-01      1.0000000
            P    6   1.00
               2432.0171070              0.22434065928D-02
                576.12049582             0.18342265336D-01
                185.11584354             0.87279697167D-01
                 69.246572556            0.25684868351
                 27.818107777            0.42398378107
                 11.420229938            0.25701340043
            P    3   1.00
                 42.819661530           -0.19326519119D-01
                  6.3885901000           0.31571386917
                  2.6698993326           0.57617792822
            P    1   1.00
                  1.0781783834           1.0000000
            P    1   1.00
                  0.22796559371          1.0000000
            P    1   1.00
                  0.62836234833D-01      1.0000000
            D    5   1.00
                103.92331829             0.11464613652D-01
                 30.371094389            0.73625747383D-01
                 10.872078097            0.23505107382
                  4.1549137954           0.40318563513
                  1.5345659145           0.40824748152
            D    1   1.00
                  0.51114263830           .20502439263
            D    1   1.00
                  0.30622000             1.0000000
            D    1   1.00
                  0.11391309             1.0000000
            D    1   1.00
                  0.42871691594D-01      1.0000000
            F    1   1.00
                  0.30996095             1.0000000
            ****
            -Ge     0
            S    8   1.00
             466115.0059200              0.22487264660D-03
              69875.4207620              0.17435426729D-02
              15903.2767160              0.90691482206D-02
               4501.8233453              0.36906174685D-01
               1466.0570924              0.12050167907
                527.07841728             0.28748641703
                205.00395074             0.41622321885
                 81.251596065            0.22397845695
            S    4   1.00
                505.74661282            -0.25184609291D-01
                156.96593744            -0.11898929721
                 25.761448176            0.54930135870
                 11.106654687            0.52939309129
            S    2   1.00
                 17.272059104           -0.22854595728
                  2.9438289048           0.68377930317
            S    1   1.00
                  1.2839164916           1.0000000
            S    1   1.00
                  0.25873337445          1.0000000
            S    1   1.00
                  0.93524913177D-01      1.0000000
            S    1   1.00
                  0.41984351140D-01      1.0000000
            P    6   1.00
               2633.9346241              0.22143925310D-02
                624.00161628             0.18140899141D-01
                200.58528404             0.86632184922D-01
                 75.097081525            0.25649020592
                 30.214388474            0.42658611262
                 12.440087567            0.26200527313
            P    3   1.00
                 45.981316002           -0.20321767678D-01
                  6.9945654416           0.32013744527
                  2.9686001327           0.59051014555
            P    1   1.00
                  1.2320988495           1.0000000
            P    1   1.00
                  0.28981614974          1.0000000
            P    1   1.00
                  0.85564606447D-01      1.0000000
            D    5   1.00
                119.44887581             0.10586544521D-01
                 35.062915293            0.69601280945D-01
                 12.636924529            0.22807035287
                  4.8888672922           0.40301067220
                  1.8453195392           0.41304847015
            D    1   1.00
                  0.63571158892           .19639209740
            D    1   1.00
                  0.35492132             1.0000000
            D    1   1.00
                  0.13155709             1.0000000
            D    1   1.00
                  0.56134940012D-01      1.0000000
            F    1   1.00
                  0.36210645             1.0000000
            ****
            -As     0
            S    8   1.00
             498032.4215800              0.22740196900D-03
              74656.8687430              0.17632816413D-02
              16990.9600040              0.91728040381D-02
               4809.6200321              0.37337829344D-01
               1566.2887055              0.12199536117
                563.21360499             0.29137475324
                219.11179978             0.42326351479
                 86.866061030            0.22921464278
            S    4   1.00
                538.19512479            -0.25254197297D-01
                167.14850224            -0.11915461115
                 27.605517159            0.54628495980
                 11.947858521            0.53001520976
            S    2   1.00
                 18.538023133           -0.23479188136
                  3.2018985739           0.69167053428
            S    1   1.00
                  1.4356522077           1.0000000
            S    1   1.00
                  0.31837805200          1.0000000
            S    1   1.00
                  0.11622632186          1.0000000
            S    1   1.00
                  0.50450200093D-01      1.0000000
            P    6   1.00
               2678.9421546              0.23318955287D-02
                634.61765840             0.19042149977D-01
                203.93967606             0.90229744913D-01
                 76.323890369            0.26169037693
                 30.664124943            0.41857168155
                 12.505056732            0.23447830190
            P    4   1.00
                 49.256229549           -0.21235539870D-01
                  7.7274891466           0.30470206668
                  3.5410493476           0.52888373107
                  1.6985585501           0.37272250955
            P    1   1.00
                  0.76848071044          1.0000000
            P    1   1.00
                  0.30050823260          1.0000000
            P    1   1.00
                  0.98190639437D-01      1.0000000
            D    5   1.00
                135.33289305             0.99291144106D-02
                 39.860212744            0.66568843496D-01
                 14.446428359            0.22275768307
                  5.6432900356           0.40309224382
                  2.1668188623           0.41671667946
            D    1   1.00
                  0.76514970569           .18935502288
            D    1   1.00
                  0.42434653             1.0000000
            D    1   1.00
                  0.16331527             1.0000000
            D    1   1.00
                  0.67575334568D-01      1.0000000
            F    1   1.00
                  0.43271941             1.0000000
            ****
            -Se     0
            S    8   1.00
             531071.6669600              0.24108973168D-03
              79603.0441170              0.18696431441D-02
              18115.8442400              0.97271616536D-02
               5127.8923194              0.39604793031D-01
               1669.9130839              0.12948855136
                600.57534527             0.30959437289
                233.70021247             0.45115769216
                 92.672443932            0.24579189033
            S    4   1.00
                571.57513675            -0.26895707881D-01
                177.63686375            -0.12670989353
                 29.517767052            0.57699001719
                 12.824399795            0.56369075408
            S    2   1.00
                 19.848235841           -0.25132415534
                  3.4744018486           0.72905416980
            S    1   1.00
                  1.5988910849           1.0000000
            S    1   1.00
                  0.38333469387          1.0000000
            S    1   1.00
                  0.14049742459          1.0000000
            S    1   1.00
                  0.45053485505D-01      1.0000000
            P    6   1.00
               2815.3500566              0.25569026854D-02
                666.92558298             0.20874026901D-01
                214.34213188             0.98772096250D-01
                 80.246687942            0.28471821221
                 32.251081288            0.45003584934
                 13.106432562            0.24416091055
            P    4   1.00
                 53.366108516           -0.21558456273D-01
                  8.1827777195           0.32662310638
                  3.6239945672           0.57740499319
                  1.6341591401           0.34301320826
            P    1   1.00
                  0.58418320228          1.0000000
            P    1   1.00
                  0.23966269279          1.0000000
            P    1   1.00
                  0.88785134803D-01      1.0000000
            P    1   1.00
                  0.26632920997D-01      1.0000000
            D    5   1.00
                151.82910279             0.93970276988D-02
                 44.839992523            0.64086503991D-01
                 16.328999510            0.21834238004
                  6.4305057612           0.40314789649
                  2.5048025169           0.41966491490
            D    1   1.00
                  0.90271148434           .18366663432
            D    1   1.00
                  0.47683613             1.0000000
            D    1   1.00
                  0.18535160             1.0000000
            D    1   1.00
                  0.64254758023D-01      1.0000000
            F    1   1.00
                  0.48866905             1.0000000
            ****
            -Br     0
            S    8   1.00
             565073.2525600              0.23660314690D-03
              84701.7231790              0.18348332508D-02
              19276.2719000              0.95465849860D-02
               5456.4284576              0.38877142153D-01
               1776.9503500              0.12718314231
                639.19398276             0.30437662191
                248.78823961             0.44490940497
                 98.678305494            0.24381643058
            S    4   1.00
                606.07824568            -0.26527158709D-01
                188.45598484            -0.12484584809
                 31.497144506            0.56468683559
                 13.736008320            0.55555268564
            S    2   1.00
                 21.203212766           -0.24940920493
                  3.7616420178           0.71213119743
            S    1   1.00
                  1.7735933962           1.0000000
            S    1   1.00
                  0.45197413664          1.0000000
            S    1   1.00
                  0.16613377099          1.0000000
            S    1   1.00
                  0.52769579657D-01      1.0000000
            P    6   1.00
               3019.6955723              0.24971049798D-02
                715.35481126             0.20419267596D-01
                229.98328751             0.96897148309D-01
                 86.167844615            0.28053901252
                 34.667870802            0.44606390473
                 14.113870307            0.24410073923
            P    4   1.00
                 57.085653082           -0.21855950710D-01
                  8.8193845840           0.32707075320
                  3.9340302872           0.57855229520
                  1.7998830384           0.33570987698
            P    1   1.00
                  0.66899410512          1.0000000
            P    1   1.00
                  0.27136238231          1.0000000
            P    1   1.00
                  0.10083790243          1.0000000
            P    1   1.00
                  0.29005224647D-01      1.0000000
            D    5   1.00
                168.85370257             0.89663981988D-02
                 49.977949919            0.62062059316D-01
                 18.274913338            0.21474732384
                  7.2455694631           0.40335336746
                  2.8562315025           0.42208813080
            D    1   1.00
                  1.0459621144            .17874813267
            D    1   1.00
                  0.56865655             1.0000000
            D    1   1.00
                  0.22031490             1.0000000
            D    1   1.00
                  0.75865567476D-01      1.0000000
            F    1   1.00
                  0.57083312             1.0000000
            ****
            -Kr     0
            S    8   1.00
             600250.9757500              0.23740610399D-03
              89976.6507810              0.18410240539D-02
              20476.8142250              0.95795580699D-02
               5796.1554078              0.39020650488D-01
               1887.5913196              0.12772645628
                679.11458519             0.30596521300
                264.38244511             0.44857474437
                104.88368574             0.24722957327
            S    4   1.00
                641.47370764            -0.26745279805D-01
                199.57524820            -0.12571122567
                 33.545462954            0.56483736390
                 14.683955144            0.55972765539
            S    2   1.00
                 22.603101860           -0.25298771800
                  4.0650682991           0.70992159965
            S    1   1.00
                  1.9611027060           1.0000000
            S    1   1.00
                  0.52465147979          1.0000000
            S    1   1.00
                  0.19332399511          1.0000000
            S    1   1.00
                  0.61730246979D-01      1.0000000
            P    6   1.00
               3232.9589614              0.24885607974D-02
                765.96442694             0.20379007428D-01
                246.33940810             0.96977188584D-01
                 92.365283041            0.28199960954
                 37.199509551            0.45116254358
                 15.172166534            0.24917131496
            P    4   1.00
                 60.931321698           -0.22173603519D-01
                  9.4792600646           0.32838462778
                  4.2564686326           0.58124997120
                  1.9729313762           0.32863541783
            P    1   1.00
                  0.76337108716          1.0000000
            P    1   1.00
                  0.30943625526          1.0000000
            P    1   1.00
                  0.11569704458          1.0000000
            P    1   1.00
                  0.32364688085D-01      1.0000000
            D    5   1.00
                186.41760904             0.86120284601D-02
                 55.274124345            0.60394406304D-01
                 20.283219120            0.21181331869
                  8.0884536976           0.40366293413
                  3.2214033853           0.42402860686
            D    1   1.00
                  1.1952170102            .17441742274
            D    1   1.00
                  0.6480000              1.0000000
            D    1   1.00
                  0.2510000              1.0000000
            D    1   1.00
                  0.87900125404D-01      1.0000000
            F    1   1.00
                  0.6280000              1.0000000
            ****
            -Rb     0
            S    2   1.00
                  7.4744618040           0.26997866363
                  6.7296180594          -0.42629251814
            S    1   1.00
                  2.7816640004           1.0000000
            S    1   1.00
                  0.53452175148          1.0000000
            S    1   1.00
                  0.22368793034          1.0000000
            S    1   1.00
                  0.32410407052D-01      1.0000000
            S    1   1.00
                  0.14171047424D-01      1.0000000
            P    4   1.00
                  5.6720643194           0.48114224135D-01
                  3.3320183956          -0.18485131426
                  0.80150054910          0.42811864954
                  0.36302220227          0.58673165411
            P    1   1.00
                  0.15733924392          1.0000000
            P    1   1.00
                  0.40000000000D-01      1.0000000
            P    1   1.00
                  0.16000000000D-01      1.0000000
            D    1   1.00
                  0.25907866956          0.76806746340D-01
            D    1   1.00
                  0.42507438045D-01      0.37846160487
            D    1   1.00
                  0.11909276840D-01      1.0000000
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                 33.404240134            0.68377675770D-02
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
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                  6.2390917199           0.38470524721
            S    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
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            D    1   1.00
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            ****
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            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
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            S    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    2   1.00
                  6.0000000000          -0.56587174838
                  4.9822082226           0.97514768535
            S    1   1.00
                  2.1451943914           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  4.9017938336           0.67755479813
                  2.6142685062          -0.46010554954
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            P    1   1.00
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            D    1   1.00
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                 10.00                   0.073
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44174952534
                  4.2709780000           0.85812466843
            S    1   1.00
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            S    1   1.00
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                  3.6808191615           0.14675038550
                  2.3265462081          -0.35581819167
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            -Hf     0
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                 16.000000000           -3.5064630782
                 14.400000000            4.3082581000
                 10.304504667           -0.91045809742
            S    1   1.00
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                  4.9203967161          -0.28227924657
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            P    1   1.00
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            D    1   1.00
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            ****
            -Ta     0
            S    4   1.00
                 24.473650944            0.20590322488
                 18.721372549           -0.74670795514
                 11.500000000            3.4071363897
                 10.350000000           -2.8175487609
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 12.008186536            0.10336287365
                  5.0278760583          -0.28526521696
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    3   1.00
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            D    1   1.00
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            -W     0
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                 30.000000000            0.32246483410
                 27.000000000           -0.46692257214
                 13.078045684            0.42699563776
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                 12.431973432            0.10905673845
                  5.1586217658          -0.29399955020
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  5.9026268603          -0.17667540011
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            D    1   1.00
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            D    1   1.00
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            ****
            -Re     0
            S    3   1.00
                 30.000000000            0.31780717811
                 27.000000000           -0.46492321332
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 12.318606250            0.99711498502D-01
                  5.3719234505          -0.29289398145
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  6.0949443610          -0.17722258734
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            D    1   1.00
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            D    1   1.00
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            ****
            -Os     0
            S    3   1.00
                 30.000000000            0.32213004804
                 27.000000000           -0.47922918137
                 13.524730005            0.47465946837
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 14.000000000           -0.23201520402
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                  1.4139502215          -0.54253238176
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  6.3060397430          -0.16444229630
                  1.4890109110           0.55154541033
                  0.67315390607          0.88461370291
            D    1   1.00
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            D    1   1.00
                  0.11058012051          1.0000000
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                  0.5506500              1.0000000
            ****
            -Ir     0
            S    3   1.00
                 30.000000000            0.30797903228
                 27.000000000           -0.46726361781
                 13.961973911            0.47161003146
            S    1   1.00
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            P    4   1.00
                 15.902664143           -0.16290720099
                 14.415830698            0.23483212987
                  5.7597608991          -0.30305337176
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  6.5898192302          -0.17326965173
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                  0.71827834905          0.85273641436
            D    1   1.00
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            D    1   1.00
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            ****
            -Pt     0
            S    3   1.00
                 30.000000000            0.27148263900
                 27.000000000           -0.42226758774
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 14.000000000            0.23853412989
                  6.1161212339          -0.31041379733
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  7.4207226520          -0.90271847072D-01
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            D    1   1.00
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            D    1   1.00
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            ****
            -Au     0
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                 27.000000000           -0.33267893394
                 14.746824331            0.38302817958
            S    1   1.00
                  5.6017248938           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  1.6595601681          -0.57279670446
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  7.2698886937          -0.93690906606D-01
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                  0.79960541055          0.46795192483
            D    1   1.00
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            D    1   1.00
                  0.12445133105          1.0000000
            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    3   1.00
                 48.013786990            0.58008164912D-02
                 21.239875095           -0.17328165235
                 15.876100879            0.36416685034
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                 15.252594855            0.15327318234
                  6.4404715169          -0.30274955249
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            P    1   1.00
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            P    1   1.00
                  0.41304540122          1.0000000
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  7.5920661493          -0.94774230522D-01
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                  0.88641552102          0.45567078406
            D    1   1.00
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            D    1   1.00
                  0.14880740086          1.0000000
            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    4   1.00
                729.65038145             0.13672829828D-03
                 46.665548707            0.60443439951D-02
                 20.970448726           -0.20022066697
                 14.149588677            0.40801678488
            S    2   1.00
                 20.730134285           -0.71861135918D-01
                  6.1527631309           0.98057508445
            S    1   1.00
                  1.5757324480           1.0000000
            S    1   1.00
                  0.74980169458          1.0000000
            S    1   1.00
                  0.19536816194          1.0000000
            S    1   1.00
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            S    1   1.00
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            P    3   1.00
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                 14.814929544           -0.72859235151
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            P    3   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  9.7368866667           0.24456562496D-01
                  6.9256201679          -0.69914775031D-01
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                  1.0836187110           0.29731629705
                  0.52356298209          0.23728708102
            D    1   1.00
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            D    1   1.00
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            D    1   1.00
                  0.30807799761D-01      1.0000000
            F    1   1.00
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            F    1   1.00
                  0.2843500              1.0000000
            ****
            -Pb     0
            S    4   1.00
                591.61124370             0.22126521076D-03
                 46.757232559            0.56961959130D-02
                 20.746462696           -0.21374063831
                 14.610796419            0.40502620616
            S    2   1.00
                 20.222637612           -0.83541883299D-01
                  6.4767324865           0.97910892388
            S    1   1.00
                  1.6600600927           1.0000000
            S    1   1.00
                  0.80431655001          1.0000000
            S    1   1.00
                  0.22627039020          1.0000000
            S    1   1.00
                  0.84014530665D-01      1.0000000
            S    1   1.00
                  0.28533321717D-01      1.0000000
            P    3   1.00
                 15.189102118            0.61952303583
                 14.693144415           -0.72498497086
                  6.8705890048           0.37680007984
            P    3   1.00
                  2.2021426123           0.40196284806
                  1.2209125119           0.46058131862
                  0.63367559815          0.19367655397
            P    1   1.00
                  0.28202837058          1.0000000
            P    1   1.00
                  0.11333375666          1.0000000
            P    1   1.00
                  0.43948707430D-01      1.0000000
            D    6   1.00
                 61.315369628            0.33870800787D-03
                 12.372195840            0.13788683942D-01
                  6.9254944983          -0.75979608103D-01
                  2.3319539939           0.28113784298
                  1.2108730003           0.44474512269
                  0.60090478506          0.35326874351
            D    1   1.00
                  0.28135869813          1.0000000
            D    1   1.00
                  0.11500000000          1.0000000
            D    1   1.00
                  0.40071342706D-01      1.0000000
            F    1   1.00
                  1.0000000              1.0000000
            F    1   1.00
                  0.2896200              1.0000000
            ****
            -Bi     0
            S    4   1.00
                716.41435310             0.31254307133D-03
                 83.806059047            0.17624768946D-02
                 21.116962853           -0.21910983437
                 15.491448187            0.40411224931
            S    2   1.00
                 23.239855029           -0.68255758685D-01
                  6.6474255000           0.97888046471
            S    1   1.00
                  1.7617744005           1.0000000
            S    1   1.00
                  0.87252866000          1.0000000
            S    1   1.00
                  0.25618895997          1.0000000
            S    1   1.00
                  0.97073913006D-01      1.0000000
            S    1   1.00
                  0.35808906242D-01      1.0000000
            P    3   1.00
                 15.249644669            0.74560356000
                 14.846176053           -0.85578637338
                  7.0636826784           0.40149159592
            P    3   1.00
                  2.5881255616           0.35542729633
                  1.5020208499           0.63976991890
                  0.76732724388          0.32332773839
            P    1   1.00
                  0.32797648982          1.0000000
            P    1   1.00
                  0.13820335991          1.0000000
            P    1   1.00
                  0.55137330969D-01      1.0000000
            D    6   1.00
                 66.404481948            0.38102878348D-03
                 13.858426961            0.10746152442D-01
                  7.0654519000          -0.71947646845D-01
                  2.5252144035           0.26195974989
                  1.3419585000           0.42594750000
                  0.68340941000          0.33680325627
            D    1   1.00
                  0.32934755420          1.0000000
            D    1   1.00
                  0.14000000000          1.0000000
            D    1   1.00
                  0.50194378647D-01      1.0000000
            F    1   1.00
                  1.0500000              1.0000000
            F    1   1.00
                  0.3127100              1.0000000
            ****
            -Po     0
            S    5   1.00
               6744.8211765              0.76891556363D-04
                744.41892532             0.71284827354D-03
                131.04029309             0.22057583958D-02
                 19.662021030           -0.64364713744
                 16.623025609            0.91997150546
            S    2   1.00
                 23.094002965           -0.70404410177D-01
                  6.9707398381           0.97886540086
            S    1   1.00
                  1.8497377593           1.0000000
            S    1   1.00
                  0.93082999263          1.0000000
            S    1   1.00
                  0.28673026462          1.0000000
            S    1   1.00
                  0.10979212169          1.0000000
            S    1   1.00
                  0.35812540416D-01      1.0000000
            P    4   1.00
                  8.9027395407          -0.13798250445
                  5.7414667465           0.26304005326
                  1.9896329823           0.66225846161
                  0.94703210822          0.39547051892
            P    3   1.00
                253.99024497             0.83876362116D-04
                  9.8712718748           0.24572710458
                  7.4489893496          -0.44297763661
            P    1   1.00
                  0.37071136280          1.0000000
            P    1   1.00
                  0.15554706086          1.0000000
            P    1   1.00
                  0.61173720818D-01      1.0000000
            P    1   1.00
                  0.19437729576D-01      1.0000000
            D    6   1.00
                 67.943077046            0.48919125336D-03
                 14.914219894            0.10157120776D-01
                  7.2973948305          -0.69943263066D-01
                  2.6826784400           0.26244730680
                  1.4374143009           0.42702361494
                  0.73903797417          0.32502435477
            D    1   1.00
                  0.35838153281          1.0000000
            D    1   1.00
                  0.15000000000          1.0000000
            D    1   1.00
                  0.51710661379D-01      1.0000000
            F    1   1.00
                  1.4000000              1.0000000
            F    1   1.00
                  0.3327500              1.0000000
            ****
            -At     0
            S    5   1.00
               3635.9809356              0.12571463494D-03
                537.64129823             0.75950883820D-03
                 91.600030756            0.25790982348D-02
                 20.200005804           -0.54772187699
                 16.893873824            0.78417507786
            S    2   1.00
                 18.177216938           -0.13023627002
                  7.2317852082           0.96473566747
            S    1   1.00
                  1.9496199739           1.0000000
            S    1   1.00
                  0.99226695236          1.0000000
            S    1   1.00
                  0.31957178881          1.0000000
            S    1   1.00
                  0.12342539809          1.0000000
            S    1   1.00
                  0.40936378211D-01      1.0000000
            P    4   1.00
                  8.9484156471          -0.15012953475
                  5.9694592464           0.27048141788
                  2.1099088209           0.63671217722
                  1.0236370373           0.38057472615
            P    3   1.00
                216.81518928             0.16975297090D-03
                 10.592298115            0.22683755793
                  7.4596585430          -0.47336848377
            P    1   1.00
                  0.42186356565          1.0000000
            P    1   1.00
                  0.17757132268          1.0000000
            P    1   1.00
                  0.69670886939D-01      1.0000000
            P    1   1.00
                  0.20397906578D-01      1.0000000
            D    6   1.00
                 70.619633393            0.59974022914D-03
                 16.212096478            0.93445952839D-02
                  7.3607401479          -0.70748413897D-01
                  2.9309052592           0.24037366077
                  1.6085414823           0.41841372624
                  0.84194162715          0.32832651044
            D    1   1.00
                  0.41335677957          1.0000000
            D    1   1.00
                  0.17400000000          1.0000000
            D    1   1.00
                  0.59789898654D-01      1.0000000
            F    1   1.00
                  1.8000000              1.0000000
            F    1   1.00
                  0.3740800              1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2TZVPD/20_transdimethyltiirane_STD/Gau-62899.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2TZVPD/20_transdimethyltiirane_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     62900.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                22-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=20_transdimethyltiirane_STD_B3LYPDBJ-def2TZVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul 22 18:07:57 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "20_transdimethyltiirane_STD_B3LYPDBJ-def2TZVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.599491000000     -0.369878000000      0.431357000000
  C                                                -0.599488000000     -0.369888000000     -0.431357000000
  S                                                -0.000005000000      1.310943000000     -0.000002000000
  C                                                 1.938838000000     -0.811623000000     -0.094154000000
  C                                                -1.938831000000     -0.811630000000      0.094156000000
  H                                                 0.415368000000     -0.613481000000      1.473325000000
  H                                                -0.415358000000     -0.613502000000     -1.473321000000
  H                                                 2.751939000000     -0.367214000000      0.481119000000
  H                                                 2.030524000000     -1.899878000000     -0.024340000000
  H                                                 2.060606000000     -0.517889000000     -1.136950000000
  H                                                -2.751938000000     -0.367061000000     -0.480988000000
  H                                                -2.030600000000     -1.899865000000      0.024153000000
  H                                                -2.060517000000     -0.518072000000      1.137011000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     13 NQM=       13 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          32          12          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  31.9720718  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000  13.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000  16.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Thu Jul 22 18:07:57 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.599491   -0.369878    0.431357
      2          6           0       -0.599488   -0.369888   -0.431357
      3         16           0       -0.000005    1.310943   -0.000002
      4          6           0        1.938838   -0.811623   -0.094154
      5          6           0       -1.938831   -0.811630    0.094156
      6          1           0        0.415368   -0.613481    1.473325
      7          1           0       -0.415358   -0.613502   -1.473321
      8          1           0        2.751939   -0.367214    0.481119
      9          1           0        2.030524   -1.899878   -0.024340
     10          1           0        2.060606   -0.517889   -1.136950
     11          1           0       -2.751938   -0.367061   -0.480988
     12          1           0       -2.030600   -1.899865    0.024153
     13          1           0       -2.060517   -0.518072    1.137011
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.477101   0.000000
     3  S    1.835926   1.835930   0.000000
     4  C    1.505042   2.598448   2.876328   0.000000
     5  C    2.598447   1.505038   2.876322   3.882239   0.000000
     6  H    1.085791   2.171885   2.458991   2.194815   2.735621
     7  H    2.171882   1.085790   2.458999   2.735616   2.194814
     8  H    2.153025   3.473425   3.258970   1.090675   4.727639
     9  H    2.143925   3.069771   3.799080   1.094340   4.117536
    10  H    2.148570   2.756060   2.980502   1.090198   4.194926
    11  H    3.473393   2.153024   3.258862   4.727648   1.090676
    12  H    3.069862   2.143922   3.799104   4.117609   1.094339
    13  H    2.756003   2.148568   2.980571   4.194852   1.090197
                    6          7          8          9         10
     6  H    0.000000
     7  H    3.061508   0.000000
     8  H    2.550428   3.729915   0.000000
     9  H    2.550793   3.120360   1.767763   0.000000
    10  H    3.086986   2.500537   1.766010   1.774458   0.000000
    11  H    3.729865   2.550503   5.587335   5.042816   4.859384
    12  H    3.120520   2.550719   5.042868   4.061414   4.471687
    13  H    2.500443   3.086987   4.859289   4.471548   4.706862
                   11         12         13
    11  H    0.000000
    12  H    1.767762   0.000000
    13  H    1.766009   1.774458   0.000000
 Stoichiometry    C4H8S
 Framework group  C1[X(C4H8S)]
 Deg. of freedom    33
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.93D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.599491   -0.369878    0.431357
      2          6           0       -0.599488   -0.369888   -0.431357
      3         16           0       -0.000005    1.310943   -0.000002
      4          6           0        1.938838   -0.811623   -0.094154
      5          6           0       -1.938831   -0.811630    0.094156
      6          1           0        0.415368   -0.613481    1.473325
      7          1           0       -0.415358   -0.613502   -1.473321
      8          1           0        2.751939   -0.367214    0.481119
      9          1           0        2.030524   -1.899878   -0.024340
     10          1           0        2.060606   -0.517889   -1.136950
     11          1           0       -2.751938   -0.367061   -0.480988
     12          1           0       -2.030600   -1.899865    0.024153
     13          1           0       -2.060517   -0.518072    1.137011
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           5.3481899           3.5229824           2.3648219
 Leave Link  202 at Thu Jul 22 18:07:57 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       6      7      8      9     10     11     12     13
 S 3 1.00
     Exponent=  3.4061341000D+01 Coefficients=  6.0251978000D-03
     Exponent=  5.1235746000D+00 Coefficients=  4.5021094000D-02
     Exponent=  1.1646626000D+00 Coefficients=  2.0189726000D-01
 S 1 1.00
     Exponent=  3.2723041000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.0307241000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  9.5774129632D-02 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      4      5
 S 6 1.00
     Exponent=  1.3575349682D+04 Coefficients=  2.2245814352D-04
     Exponent=  2.0352333680D+03 Coefficients=  1.7232738252D-03
     Exponent=  4.6322562359D+02 Coefficients=  8.9255715314D-03
     Exponent=  1.3120019598D+02 Coefficients=  3.5727984502D-02
     Exponent=  4.2853015891D+01 Coefficients=  1.1076259931D-01
     Exponent=  1.5584185766D+01 Coefficients=  2.4295627626D-01
 S 2 1.00
     Exponent=  6.2067138508D+00 Coefficients=  4.1440263448D-01
     Exponent=  2.5764896527D+00 Coefficients=  2.3744968655D-01
 S 1 1.00
     Exponent=  5.7696339419D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.2972831358D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.5164440028D-02 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.8475401370D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  3.4697232244D+01 Coefficients=  5.3333657805D-03
     Exponent=  7.9582622826D+00 Coefficients=  3.5864109092D-02
     Exponent=  2.3780826883D+00 Coefficients=  1.4215873329D-01
     Exponent=  8.1433208183D-01 Coefficients=  3.4270471845D-01
 P 1 1.00
     Exponent=  2.8887547253D-01 Coefficients=  4.6445822433D-01
 P 1 1.00
     Exponent=  1.0056823671D-01 Coefficients=  2.4955789874D-01
 D 1 1.00
     Exponent=  1.0970000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.1800000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  9.0985336424D-02 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  7.6100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       3
 S 7 1.00
     Exponent=  6.0700928104D+04 Coefficients=  5.4695944225D-04
     Exponent=  9.1026106854D+03 Coefficients=  4.2297224557D-03
     Exponent=  2.0714166009D+03 Coefficients=  2.1747824159D-02
     Exponent=  5.8602476821D+02 Coefficients=  8.5100053589D-02
     Exponent=  1.9055395021D+02 Coefficients=  2.4799128459D-01
     Exponent=  6.7630384260D+01 Coefficients=  4.6703640406D-01
     Exponent=  2.5127306905D+01 Coefficients=  3.6434587550D-01
 S 3 1.00
     Exponent=  1.1257463010D+02 Coefficients=  2.1670040240D-02
     Exponent=  3.4795554217D+01 Coefficients=  9.3602301760D-02
     Exponent=  6.5115556215D+00 Coefficients= -2.6068001422D-01
 S 2 1.00
     Exponent=  3.2399032261D+00 Coefficients=  1.2842089435D+00
     Exponent=  1.5477160881D+00 Coefficients=  6.6036416584D-01
 S 1 1.00
     Exponent=  4.0541030112D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.4550651059D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  5.0178839540D-02 Coefficients=  1.0000000000D+00
 P 5 1.00
     Exponent=  5.6436716027D+02 Coefficients=  2.4796796317D-03
     Exponent=  1.3342624379D+02 Coefficients=  1.9677930250D-02
     Exponent=  4.2468271189D+01 Coefficients=  8.9980008258D-02
     Exponent=  1.5616527580D+01 Coefficients=  2.5705880575D-01
     Exponent=  6.1093988469D+00 Coefficients=  4.3515167292D-01
 P 1 1.00
     Exponent=  2.4404160198D+00 Coefficients=  3.4883240595D-01
 P 1 1.00
     Exponent=  8.3882201296D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  3.1288746900D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.0770109004D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  3.0359833649D-02 Coefficients=  1.0000000000D+00
 D 2 1.00
     Exponent=  3.7560000000D+00 Coefficients=  2.0000000000D-01
     Exponent=  8.1200000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.7300000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1547024970D-02 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  5.5700000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   296 symmetry adapted cartesian basis functions of A   symmetry.
 There are   266 symmetry adapted basis functions of A   symmetry.
   266 basis functions,   399 primitive gaussians,   296 cartesian basis functions
    24 alpha electrons       24 beta electrons
       nuclear repulsion energy       226.7594630262 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   13 NActive=   13 NUniq=   13 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0184719848 Hartrees.
 Nuclear repulsion after empirical dispersion term =      226.7409910414 Hartrees.
 Leave Link  301 at Thu Jul 22 18:07:58 2021, MaxMem=  5637144576 cpu:               5.2 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   266 RedAO= T EigKep=  5.98D-06  NBF=   266
 NBsUse=   266 1.00D-06 EigRej= -1.00D+00 NBFU=   266
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   296   296   296   296   296 MxSgAt=    13 MxSgA2=    13.
 Leave Link  302 at Thu Jul 22 18:07:58 2021, MaxMem=  5637144576 cpu:               2.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul 22 18:07:59 2021, MaxMem=  5637144576 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "20_transdimethyltiirane_STD_B3LYPDBJ-def2TZVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul 22 18:07:59 2021, MaxMem=  5637144576 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636964251 LenY=  5636876194
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 980000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -555.530165723596    
 DIIS: error= 3.16D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -555.530165723596     IErMin= 1 ErrMin= 3.16D-03
 ErrMax= 3.16D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.61D-03 BMatP= 2.61D-03
 IDIUse=3 WtCom= 9.68D-01 WtEn= 3.16D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.229 Goal=   None    Shift=    0.000
 GapD=    0.229 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=6.14D-03 MaxDP=3.90D-01              OVMax= 2.24D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.14D-03    CP:  1.01D+00
 E= -555.531369800817     Delta-E=       -0.001204077222 Rises=F Damp=F
 DIIS: error= 1.09D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -555.531369800817     IErMin= 2 ErrMin= 1.09D-04
 ErrMax= 1.09D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.07D-06 BMatP= 2.61D-03
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.09D-03
 Coeff-Com: -0.712D-02 0.101D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.711D-02 0.101D+01
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=2.95D-04 MaxDP=2.21D-02 DE=-1.20D-03 OVMax= 2.41D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.50D-04    CP:  1.01D+00  1.04D+00
 E= -555.531374166758     Delta-E=       -0.000004365940 Rises=F Damp=F
 DIIS: error= 1.23D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -555.531374166758     IErMin= 2 ErrMin= 1.09D-04
 ErrMax= 1.23D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.65D-06 BMatP= 5.07D-06
 IDIUse=3 WtCom= 4.74D-01 WtEn= 5.26D-01
 Coeff-Com: -0.477D-02 0.523D+00 0.482D+00
 Coeff-En:   0.000D+00 0.282D+00 0.718D+00
 Coeff:     -0.226D-02 0.396D+00 0.606D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=2.84D-05 MaxDP=1.20D-03 DE=-4.37D-06 OVMax= 1.49D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.32D-05    CP:  1.01D+00  1.04D+00  1.06D+00
 E= -555.531378814985     Delta-E=       -0.000004648227 Rises=F Damp=F
 DIIS: error= 6.82D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -555.531378814985     IErMin= 4 ErrMin= 6.82D-05
 ErrMax= 6.82D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.50D-06 BMatP= 5.07D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.146D-02 0.131D+00 0.353D+00 0.518D+00
 Coeff:     -0.146D-02 0.131D+00 0.353D+00 0.518D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=6.96D-06 MaxDP=3.06D-04 DE=-4.65D-06 OVMax= 6.34D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.38D-06    CP:  1.01D+00  1.04D+00  1.08D+00  7.96D-01
 E= -555.531380281895     Delta-E=       -0.000001466910 Rises=F Damp=F
 DIIS: error= 2.64D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -555.531380281895     IErMin= 5 ErrMin= 2.64D-05
 ErrMax= 2.64D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.31D-07 BMatP= 1.50D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.848D-04-0.295D-01 0.136D+00 0.345D+00 0.549D+00
 Coeff:      0.848D-04-0.295D-01 0.136D+00 0.345D+00 0.549D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=4.45D-06 MaxDP=2.86D-04 DE=-1.47D-06 OVMax= 1.12D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.34D-06    CP:  1.01D+00  1.04D+00  1.09D+00  8.32D-01  9.29D-01
 E= -555.531380418453     Delta-E=       -0.000000136558 Rises=F Damp=F
 DIIS: error= 2.11D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -555.531380418453     IErMin= 6 ErrMin= 2.11D-06
 ErrMax= 2.11D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.74D-09 BMatP= 1.31D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.682D-04-0.156D-01 0.510D-01 0.130D+00 0.233D+00 0.602D+00
 Coeff:      0.682D-04-0.156D-01 0.510D-01 0.130D+00 0.233D+00 0.602D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=3.14D-07 MaxDP=1.14D-05 DE=-1.37D-07 OVMax= 1.43D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.46D-07    CP:  1.01D+00  1.04D+00  1.09D+00  8.35D-01  9.53D-01
                    CP:  1.04D+00
 E= -555.531380420212     Delta-E=       -0.000000001759 Rises=F Damp=F
 DIIS: error= 6.08D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -555.531380420212     IErMin= 7 ErrMin= 6.08D-07
 ErrMax= 6.08D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.04D-10 BMatP= 1.74D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.230D-04-0.406D-02 0.958D-02 0.227D-01 0.467D-01 0.229D+00
 Coeff-Com:  0.696D+00
 Coeff:      0.230D-04-0.406D-02 0.958D-02 0.227D-01 0.467D-01 0.229D+00
 Coeff:      0.696D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=1.22D-07 MaxDP=4.87D-06 DE=-1.76D-09 OVMax= 2.79D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  6.63D-08    CP:  1.01D+00  1.04D+00  1.09D+00  8.35D-01  9.68D-01
                    CP:  1.06D+00  1.01D+00
 E= -555.531380420316     Delta-E=       -0.000000000104 Rises=F Damp=F
 DIIS: error= 1.88D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -555.531380420316     IErMin= 8 ErrMin= 1.88D-07
 ErrMax= 1.88D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.26D-12 BMatP= 1.04D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.272D-05-0.187D-03-0.572D-03-0.225D-02-0.205D-02 0.398D-01
 Coeff-Com:  0.279D+00 0.686D+00
 Coeff:      0.272D-05-0.187D-03-0.572D-03-0.225D-02-0.205D-02 0.398D-01
 Coeff:      0.279D+00 0.686D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=4.92D-08 MaxDP=2.57D-06 DE=-1.04D-10 OVMax= 8.01D-07

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.38D-08    CP:  1.01D+00  1.04D+00  1.09D+00  8.35D-01  9.72D-01
                    CP:  1.08D+00  1.01D+00  1.03D+00
 E= -555.531380420315     Delta-E=        0.000000000001 Rises=F Damp=F
 DIIS: error= 2.47D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 8 EnMin= -555.531380420316     IErMin= 9 ErrMin= 2.47D-08
 ErrMax= 2.47D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.26D-13 BMatP= 8.26D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.661D-06 0.183D-03-0.701D-03-0.172D-02-0.298D-02-0.100D-02
 Coeff-Com:  0.321D-01 0.169D+00 0.805D+00
 Coeff:     -0.661D-06 0.183D-03-0.701D-03-0.172D-02-0.298D-02-0.100D-02
 Coeff:      0.321D-01 0.169D+00 0.805D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=9.01D-09 MaxDP=3.64D-07 DE= 9.09D-13 OVMax= 2.15D-07

 SCF Done:  E(RB3LYP) =  -555.531380420     A.U. after    9 cycles
            NFock=  9  Conv=0.90D-08     -V/T= 2.0029
 KE= 5.539405222990D+02 PE=-1.764487238442D+03 EE= 4.282743446811D+02
 Leave Link  502 at Thu Jul 22 18:08:31 2021, MaxMem=  5637144576 cpu:             253.8 elap:              31.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   266
 NBasis=   266 NAE=    24 NBE=    24 NFC=     0 NFV=     0
 NROrb=    266 NOA=    24 NOB=    24 NVA=   242 NVB=   242

 **** Warning!!: The largest alpha MO coefficient is  0.80621361D+02

 Leave Link  801 at Thu Jul 22 18:08:31 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         3994 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          13
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 9.68D-14 8.33D-09 XBig12= 1.00D+00 5.03D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 9.68D-14 8.33D-09 XBig12= 4.22D-01 1.97D-01.
     11 vectors produced by pass  2 Test12= 9.68D-14 8.33D-09 XBig12= 5.36D-02 5.15D-02.
     11 vectors produced by pass  3 Test12= 9.68D-14 8.33D-09 XBig12= 2.07D-03 1.20D-02.
     11 vectors produced by pass  4 Test12= 9.68D-14 8.33D-09 XBig12= 3.75D-05 1.62D-03.
     11 vectors produced by pass  5 Test12= 9.68D-14 8.33D-09 XBig12= 4.31D-07 1.34D-04.
     11 vectors produced by pass  6 Test12= 9.68D-14 8.33D-09 XBig12= 4.74D-09 1.50D-05.
     11 vectors produced by pass  7 Test12= 9.68D-14 8.33D-09 XBig12= 3.24D-11 9.85D-07.
      8 vectors produced by pass  8 Test12= 9.68D-14 8.33D-09 XBig12= 1.75D-13 8.28D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension    96 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.802291D+02
      2 -0.108485D-04  0.812799D+02
      3 -0.102656D+00  0.129983D-03  0.624276D+02
 Isotropic polarizability for W=    0.093368       74.65 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.303228D-03 -0.357635D+02  0.214060D-03
      2  -0.869248D-03  0.230067D+02 -0.227116D-02
      3   0.117248D-02  0.127569D+02  0.205710D-02
      4  -0.392537D+02 -0.125900D-02 -0.797423D+01
      5   0.237704D-03 -0.498647D+01  0.120091D-02
      6  -0.598754D+01 -0.282343D-02 -0.447361D+01
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.234287D+01  0.345342D-03 -0.221843D+01
      2   0.713717D-04  0.323396D+01 -0.664298D-04
      3   0.575601D+01 -0.258301D-03 -0.182455D+01
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1   0.298776D+01 -0.552272D-03  0.172305D+02
      2  -0.236438D-04 -0.198669D+01  0.284359D-04
      3  -0.349013D+01  0.389753D-03 -0.100107D+01
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1   0.145164D+01 -0.176168D-03  0.833149D+00
      2  -0.176168D-03 -0.258039D+01  0.133456D-03
      3   0.833149D+00  0.133456D-03  0.195276D+00
 OR G Eigenvalues:    -2.5804    -0.2200     1.8669  Iso=     0.3112
 Eigenvectors:
   (1)   0.000057   1.000000  -0.000065
   (2)  -0.446074   0.000084   0.894996
   (3)   0.894996  -0.000022   0.446074
 w=    0.093368 a.u., Optical Rotation Beta=      0.3112 au.
 Molar Mass =     88.1672 grams/mole, [Alpha] ( 4880.0 A) =      198.92 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   35511 ScalPx= 4.86D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   35511 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.91D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.61D-14 2.78D-09 XBig12= 1.00D+00 6.11D-01.
     30 vectors produced by pass  1 Test12= 1.61D-14 2.78D-09 XBig12= 3.47D-02 4.02D-02.
     30 vectors produced by pass  2 Test12= 1.61D-14 2.78D-09 XBig12= 5.03D-04 4.07D-03.
     30 vectors produced by pass  3 Test12= 1.61D-14 2.78D-09 XBig12= 3.03D-06 3.78D-04.
     30 vectors produced by pass  4 Test12= 1.61D-14 2.78D-09 XBig12= 1.05D-08 1.40D-05.
     30 vectors produced by pass  5 Test12= 1.61D-14 2.78D-09 XBig12= 2.14D-11 6.67D-07.
     24 vectors produced by pass  6 Test12= 1.61D-14 2.78D-09 XBig12= 2.29D-14 1.84D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.67D-15
 Solved reduced A of dimension   204 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   35511 ScalPx= 2.53D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   35511 ScalPx= 2.53D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   35511 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.08D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.802291D+02 -0.108485D-04 -0.102656D+00
      2  -0.108485D-04  0.812799D+02  0.129983D-03
      3  -0.102656D+00  0.129983D-03  0.624276D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.234287D+01  0.345342D-03 -0.221843D+01
      2   0.713717D-04  0.323396D+01 -0.664298D-04
      3   0.575601D+01 -0.258301D-03 -0.182455D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.303228D-03 -0.357635D+02  0.214060D-03
      2  -0.869248D-03  0.230067D+02 -0.227116D-02
      3   0.117248D-02  0.127569D+02  0.205710D-02
      4  -0.392537D+02 -0.125900D-02 -0.797423D+01
      5   0.237704D-03 -0.498647D+01  0.120091D-02
      6  -0.598754D+01 -0.282343D-02 -0.447361D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    39 ND12= 1 LenFil=    1407:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.403329D+01 -0.133593D+01  0.214910D+01 -0.294571D+01  0.700251D+01
      2  -0.133593D+01  0.205566D+01 -0.110932D+01  0.700251D+01 -0.880209D+01
      3   0.214910D+01 -0.110932D+01  0.236373D+01 -0.205980D+00  0.112463D+01
                 6             7             8             9            10 
      1  -0.205980D+00  0.469234D+01 -0.972336D+00  0.157157D+01 -0.403361D+01
      2   0.112463D+01 -0.972336D+00 -0.587098D+00  0.269275D+01 -0.133594D+01
      3  -0.308260D+00  0.157157D+01  0.269275D+01 -0.699722D+01 -0.214918D+01
                11            12            13            14            15 
      1  -0.133594D+01 -0.214918D+01 -0.294600D+01 -0.700274D+01 -0.206141D+00
      2  -0.205569D+01 -0.110939D+01 -0.700274D+01 -0.880210D+01 -0.112490D+01
      3  -0.110939D+01 -0.236372D+01 -0.206141D+00 -0.112490D+01 -0.308260D+00
                16            17            18            19            20 
      1  -0.469241D+01 -0.972215D+00 -0.157150D+01  0.271941D-04  0.825088D+01
      2  -0.972215D+00  0.586879D+00  0.269272D+01  0.825088D+01 -0.534970D-04
      3  -0.157150D+01  0.269272D+01  0.699728D+01  0.455211D-04  0.166333D+01
                21            22            23            24            25 
      1   0.455211D-04  0.743701D+01  0.797511D-04  0.698728D+00  0.820770D-04
      2   0.166333D+01  0.797511D-04  0.226822D+02  0.112733D-03  0.338378D+01
      3  -0.514606D-04  0.698728D+00  0.112733D-03  0.507293D+01  0.103250D-04
                26            27            28            29            30 
      1   0.338378D+01  0.103250D-04 -0.259356D+01 -0.141048D+01 -0.330411D+01
      2   0.923170D-04  0.617287D+01 -0.141048D+01 -0.130050D+01 -0.395435D+00
      3   0.617287D+01  0.821242D-04 -0.330411D+01 -0.395435D+00 -0.133170D+01
                31            32            33            34            35 
      1  -0.131817D+00 -0.580146D+01 -0.606376D+00 -0.409996D+01 -0.379269D+00
      2  -0.580146D+01  0.101168D+02 -0.221718D+00 -0.379269D+00 -0.109261D+01
      3  -0.606376D+00 -0.221718D+00 -0.238130D+01 -0.233023D+01 -0.179556D+01
                36            37            38            39            40 
      1  -0.233023D+01  0.259442D+01 -0.141036D+01  0.330395D+01 -0.132240D+00
      2  -0.179556D+01 -0.141036D+01  0.130159D+01 -0.395521D+00  0.580243D+01
      3   0.458325D+01  0.330395D+01 -0.395521D+00  0.133091D+01 -0.606401D+00
                41            42            43            44            45 
      1   0.580243D+01 -0.606401D+00  0.410010D+01 -0.378611D+00  0.232935D+01
      2   0.101163D+02  0.223453D+00 -0.378611D+00  0.109491D+01 -0.179491D+01
      3   0.223453D+00 -0.238054D+01  0.232935D+01 -0.179491D+01 -0.458472D+01
                46            47            48            49            50 
      1   0.292860D+00 -0.999565D+00  0.100738D+01 -0.634130D+00  0.505335D-01
      2  -0.999565D+00 -0.187967D+00  0.199931D+00  0.505335D-01 -0.520971D+00
      3   0.100738D+01  0.199931D+00 -0.945319D+00 -0.185463D+00  0.135163D+01
                51            52            53            54            55 
      1  -0.185463D+00  0.152156D+01 -0.509541D+00  0.161592D+00 -0.292861D+00
      2   0.135163D+01 -0.509541D+00  0.311798D+01 -0.356088D+01 -0.999549D+00
      3  -0.142621D+01  0.161592D+00 -0.356088D+01  0.804297D+01 -0.100741D+01
                56            57            58            59            60 
      1  -0.999549D+00 -0.100741D+01 -0.634167D+00 -0.505533D-01 -0.185433D+00
      2   0.188007D+00  0.199958D+00 -0.505533D-01 -0.520998D+00 -0.135166D+01
      3   0.199958D+00  0.945381D+00 -0.185433D+00 -0.135166D+01 -0.142633D+01
                61            62            63            64            65 
      1  -0.152149D+01 -0.509555D+00 -0.161562D+00  0.806806D+01  0.640630D+00
      2  -0.509555D+00 -0.311803D+01 -0.356089D+01  0.640630D+00  0.100323D+01
      3  -0.161562D+00 -0.356089D+01 -0.804299D+01  0.260155D+01  0.402539D+00
                66            67            68            69            70 
      1   0.260155D+01  0.303017D+01  0.183112D+01  0.895861D+00  0.428415D+01
      2   0.402539D+00  0.183112D+01 -0.455437D-01  0.721318D+00  0.146839D+00
      3   0.190798D+01  0.895861D+00  0.721318D+00  0.110811D+01  0.256253D+01
                71            72            73            74            75 
      1   0.146839D+00  0.256253D+01  0.136155D+01 -0.143391D+01  0.468495D+00
      2   0.104560D+01  0.552138D+00 -0.143391D+01  0.768276D+00  0.344426D-02
      3   0.552138D+00  0.177793D+01  0.468495D+00  0.344426D-02  0.979808D-01
                76            77            78            79            80 
      1  -0.419447D+01  0.510519D+01  0.142022D+00  0.115802D+01 -0.407110D+00
      2   0.510519D+01 -0.116953D+02  0.168409D+00 -0.407110D+00  0.824499D+00
      3   0.142022D+00  0.168409D+00 -0.979111D+00  0.778178D+00 -0.126270D+01
                81            82            83            84            85 
      1   0.778178D+00  0.111378D+01  0.413779D+00 -0.770600D+00  0.115755D+01
      2  -0.126270D+01  0.413779D+00  0.267037D+00  0.671411D-01  0.626867D+00
      3   0.359383D-01 -0.770600D+00  0.671411D-01  0.885624D+00 -0.389381D+00
                86            87            88            89            90 
      1   0.626867D+00 -0.389381D+00 -0.222658D+01  0.429475D+00  0.215304D+01
      2  -0.393951D+00 -0.799249D+00  0.429475D+00 -0.120791D+01  0.287840D+00
      3  -0.799249D+00  0.145034D+01  0.215304D+01  0.287840D+00 -0.650175D+01
                91            92            93            94            95 
      1  -0.806839D+01  0.641075D+00 -0.260109D+01  0.303118D+01 -0.183155D+01
      2   0.641075D+00 -0.100359D+01  0.402712D+00 -0.183155D+01 -0.451122D-01
      3  -0.260109D+01  0.402712D+00 -0.190752D+01  0.896022D+00 -0.721517D+00
                96            97            98            99           100 
      1   0.896022D+00 -0.428337D+01  0.146959D+00 -0.256199D+01 -0.136213D+01
      2  -0.721517D+00  0.146959D+00 -0.104575D+01  0.552214D+00 -0.143432D+01
      3   0.110819D+01 -0.256199D+01  0.552214D+00 -0.177707D+01 -0.468655D+00
               101           102           103           104           105 
      1  -0.143432D+01 -0.468655D+00 -0.419453D+01 -0.510558D+01  0.141645D+00
      2  -0.768996D+00  0.332600D-02 -0.510558D+01 -0.116950D+02 -0.169548D+00
      3   0.332600D-02 -0.980204D-01  0.141645D+00 -0.169548D+00 -0.979202D+00
               106           107           108           109           110 
      1  -0.115891D+01 -0.408007D+00 -0.778154D+00 -0.111343D+01  0.413685D+00
      2  -0.408007D+00 -0.826215D+00 -0.126279D+01  0.413685D+00 -0.266985D+00
      3  -0.778154D+00 -0.126279D+01 -0.363335D-01  0.770515D+00  0.672887D-01
               111           112           113           114           115 
      1   0.770515D+00  0.115716D+01 -0.626837D+00 -0.389103D+00  0.222647D+01
      2   0.672887D-01 -0.626837D+00 -0.394210D+00  0.799033D+00  0.429586D+00
      3  -0.885285D+00 -0.389103D+00  0.799033D+00  0.144964D+01 -0.215283D+01
               116           117 
      1   0.429586D+00 -0.215283D+01
      2   0.120765D+01  0.287193D+00
      3   0.287193D+00  0.650264D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.118931D+01  0.383194D+01 -0.774280D+00 -0.570129D+00 -0.991507D+01
      2   0.221134D+01 -0.257662D+01  0.284187D+01  0.184290D+01 -0.319771D+01
      3   0.193647D+01 -0.781454D+01  0.243038D+01  0.684408D+00 -0.632196D+00
                 6             7             8             9            10 
      1   0.247229D+01 -0.535730D+01  0.866307D+01 -0.219063D+01  0.118894D+01
      2   0.293532D+01 -0.819486D+01  0.938944D+01 -0.637209D+01  0.221081D+01
      3   0.137437D+01  0.776796D+00  0.708212D-01 -0.283134D+01 -0.193548D+01
                11            12            13            14            15 
      1   0.383173D+01  0.774504D+00 -0.570521D+00  0.991444D+01  0.247235D+01
      2   0.257679D+01  0.284218D+01 -0.184266D+01 -0.319724D+01 -0.293526D+01
      3  -0.781459D+01 -0.243023D+01  0.685324D+00  0.633055D+00  0.137417D+01
                16            17            18            19            20 
      1   0.535747D+01  0.866298D+01  0.219081D+01  0.257701D-03 -0.888614D+01
      2  -0.819521D+01 -0.938923D+01 -0.637265D+01  0.471089D+01  0.110810D-03
      3  -0.776779D+00  0.704916D-01  0.283097D+01 -0.203119D-03 -0.114863D+02
                21            22            23            24            25 
      1  -0.100812D-03 -0.401367D+01  0.336874D-04 -0.161693D+02 -0.281217D-04
      2   0.759062D+01 -0.474238D-04  0.552449D+01  0.143360D-05 -0.102413D+02
      3  -0.158944D-03  0.187704D+02 -0.574463D-03  0.282635D+00 -0.364589D-03
                26            27            28            29            30 
      1   0.748628D+01  0.658242D-04 -0.163323D+01 -0.628869D+00 -0.221517D+01
      2  -0.667722D-04  0.452170D+00 -0.102045D+02 -0.225360D+00 -0.253495D+01
      3   0.398477D+01  0.469651D-04  0.104188D+02  0.173714D+01  0.387869D+01
                31            32            33            34            35 
      1  -0.532957D+00 -0.733856D+00 -0.350246D+01 -0.354782D+01  0.767756D+00
      2  -0.413236D+01  0.143379D+01 -0.646432D+01 -0.998864D+01 -0.284007D+01
      3   0.181216D+02 -0.197469D+02  0.165469D+01  0.426607D+01  0.188178D+01
                36            37            38            39            40 
      1   0.612257D+01  0.163286D+01 -0.628662D+00  0.221393D+01 -0.532122D+00
      2   0.992616D+01 -0.102029D+02  0.226016D+00 -0.253281D+01  0.413160D+01
      3   0.797026D+01 -0.104208D+02  0.173925D+01 -0.387943D+01  0.181248D+02
                41            42            43            44            45 
      1   0.736101D+00 -0.350106D+01  0.354612D+01  0.768440D+00 -0.612358D+01
      2   0.142889D+01  0.646271D+01 -0.998571D+01  0.283889D+01  0.993023D+01
      3   0.197447D+02  0.165962D+01 -0.426547D+01  0.188644D+01 -0.796728D+01
                46            47            48            49            50 
      1  -0.696120D+00  0.468060D+00 -0.367077D+00  0.721617D+00 -0.163949D-01
      2   0.182317D+01  0.139989D+01 -0.975584D-01  0.205832D+01  0.124612D+01
      3   0.484614D+00  0.129881D+00 -0.619829D+00  0.211943D+01  0.168933D+01
                51            52            53            54            55 
      1  -0.275283D+01 -0.126545D+01  0.278307D+01  0.289538D+01  0.696079D+00
      2  -0.260619D+01 -0.281879D+01 -0.420848D+01  0.751809D+01  0.182326D+01
      3  -0.182485D+01 -0.142770D+01 -0.250473D+01  0.284377D+01 -0.484618D+00
                56            57            58            59            60 
      1   0.468103D+00  0.367222D+00  0.721686D+00  0.165335D-01 -0.275285D+01
      2  -0.139988D+01 -0.976397D-01 -0.205836D+01  0.124614D+01  0.260633D+01
      3   0.130023D+00  0.619942D+00  0.211954D+01 -0.168937D+01 -0.182491D+01
                61            62            63            64            65 
      1   0.126544D+01  0.278304D+01 -0.289540D+01  0.210692D+01  0.740397D+00
      2  -0.281867D+01  0.420848D+01  0.751800D+01  0.523201D+01  0.100376D+01
      3   0.142762D+01 -0.250490D+01 -0.284375D+01 -0.105466D+02 -0.558765D+01
                66            67            68            69            70 
      1   0.133761D+01  0.100071D+01  0.495936D+00  0.219508D-01  0.118568D+01
      2   0.691242D+01  0.209685D+01  0.125263D+01  0.362399D+01  0.396726D+01
      3  -0.386247D+01 -0.534529D+01 -0.236800D+01 -0.264836D+01 -0.513248D+01
                71            72            73            74            75 
      1   0.185071D+01  0.866475D+00 -0.275324D+00 -0.922838D-01  0.991683D+00
      2   0.148560D+01  0.454192D+01  0.395768D+00 -0.100594D+00  0.169508D+01
      3  -0.340306D+01 -0.386854D+01  0.118230D+00 -0.189978D+01 -0.240432D+00
                76            77            78            79            80 
      1   0.885993D+00  0.375511D+00 -0.452574D+01  0.123847D+01 -0.770126D+00
      2   0.213623D+01 -0.165398D+01 -0.338427D+01  0.858293D+00 -0.211340D+01
      3  -0.430814D+01  0.234656D+02 -0.743829D+00 -0.412633D+00 -0.122158D+01
                81            82            83            84            85 
      1  -0.630453D+00 -0.912783D+00  0.123704D+00  0.114402D+01  0.527693D+00
      2  -0.635977D+00 -0.183921D+01  0.465329D+00  0.299485D+01  0.106733D+01
      3   0.100535D+01 -0.139650D+01 -0.114247D+01  0.964882D+00 -0.599340D+00
                86            87            88            89            90 
      1  -0.165150D+01  0.764155D+00  0.220729D+01  0.328317D+01 -0.694957D+01
      2  -0.184304D+01  0.335874D+01  0.123920D+01  0.134023D+01 -0.151785D+02
      3  -0.750189D+00  0.202105D+01  0.181715D+01  0.318445D+01 -0.415236D+01
                91            92            93            94            95 
      1  -0.210603D+01  0.740420D+00 -0.133695D+01  0.100058D+01 -0.496018D+00
      2   0.523076D+01 -0.100430D+01  0.691128D+01 -0.209708D+01  0.125312D+01
      3   0.105485D+02 -0.558874D+01  0.386247D+01 -0.534764D+01  0.236970D+01
                96            97            98            99           100 
      1   0.217174D-01 -0.118494D+01  0.185055D+01 -0.865699D+00  0.275275D+00
      2  -0.362446D+01  0.396607D+01 -0.148567D+01  0.453951D+01  0.395852D+00
      3  -0.264931D+01  0.513242D+01 -0.340322D+01  0.386806D+01 -0.118242D+00
               101           102           103           104           105 
      1  -0.923706D-01 -0.991843D+00  0.885396D+00 -0.376454D+00 -0.452595D+01
      2   0.100676D+00  0.169513D+01 -0.213558D+01 -0.165103D+01  0.338449D+01
      3  -0.190126D+01  0.240362D+00 -0.430919D+01 -0.234644D+02 -0.746317D+00
               106           107           108           109           110 
      1  -0.123816D+01 -0.770277D+00  0.629600D+00  0.912451D+00  0.123970D+00
      2   0.857457D+00  0.211310D+01 -0.635009D+00 -0.183928D+01 -0.465747D+00
      3   0.412187D+00 -0.122475D+01 -0.100568D+01  0.139580D+01 -0.114236D+01
               111           112           113           114           115 
      1  -0.114356D+01  0.527782D+00  0.165068D+01  0.763324D+00 -0.220678D+01
      2   0.299393D+01 -0.106716D+01 -0.184216D+01 -0.335707D+01  0.123829D+01
      3  -0.964242D+00 -0.599355D+00  0.749264D+00  0.201987D+01 -0.181682D+01
               116           117 
      1   0.328281D+01  0.695049D+01
      2  -0.133883D+01 -0.151807D+02
      3   0.318350D+01  0.415050D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.545131D+00 -0.560474D+01  0.366285D+01  0.285482D+00  0.998846D+01
      2  -0.155289D+01  0.881199D+01 -0.597200D+01  0.308698D+01 -0.453606D+01
      3   0.209802D+01 -0.320725D+01  0.230915D+01 -0.337246D+01 -0.545240D+01
      4  -0.191793D+01 -0.248852D+00 -0.171512D+01 -0.145452D+01 -0.149540D+01
      5   0.568011D+01 -0.188276D+01 -0.803650D+00 -0.292858D+00 -0.358051D+01
      6  -0.180846D+01 -0.254963D+01  0.368003D+01  0.252468D+00  0.516335D+01
                 6             7             8             9            10 
      1  -0.654011D+01  0.167133D+01 -0.495805D+01  0.848598D+01 -0.542969D+00
      2   0.495374D+01 -0.219506D+01  0.239982D+01 -0.329199D+00 -0.155489D+01
      3   0.158638D+01  0.523728D+00  0.255822D+01 -0.815678D+01  0.209786D+01
      4   0.506598D+00 -0.299961D+00 -0.132245D+01 -0.294818D+01  0.191778D+01
      5   0.867946D+01  0.589861D+01  0.617615D+00 -0.751711D+01  0.567986D+01
      6  -0.113835D+02 -0.226936D+01 -0.839723D+00  0.719649D+01  0.180875D+01
                11            12            13            14            15 
      1   0.560578D+01  0.366331D+01 -0.284624D+00  0.999093D+01  0.654049D+01
      2  -0.881234D+01 -0.597264D+01 -0.308722D+01 -0.453773D+01 -0.495378D+01
      3   0.320656D+01  0.230933D+01  0.337185D+01 -0.545320D+01 -0.158671D+01
      4  -0.248495D+00  0.171490D+01 -0.145430D+01  0.149578D+01  0.507335D+00
      5   0.188365D+01 -0.803204D+00  0.293741D+00 -0.357842D+01 -0.867907D+01
      6  -0.254931D+01 -0.368010D+01  0.253180D+00 -0.516300D+01 -0.113839D+02
                16            17            18            19            20 
      1   0.167126D+01  0.495755D+01  0.848492D+01  0.768193D+01 -0.272359D-03
      2  -0.219499D+01 -0.239933D+01 -0.328627D+00  0.546974D+01  0.142663D-03
      3   0.523734D+00 -0.255823D+01 -0.815629D+01 -0.131517D+02  0.129695D-03
      4   0.300013D+00 -0.132201D+01  0.294887D+01  0.736061D-04  0.364413D+02
      5   0.589724D+01 -0.617286D+00 -0.751775D+01 -0.228984D+01 -0.225790D-03
      6   0.226966D+01 -0.839633D+00 -0.719716D+01 -0.142125D-03  0.977281D+01
                21            22            23            24            25 
      1  -0.733635D+01 -0.564796D-03 -0.529182D+02 -0.347557D-03 -0.186726D+01
      2   0.889854D+01  0.379986D-03  0.785931D+02  0.405168D-03  0.735636D+01
      3  -0.156219D+01  0.184810D-03 -0.256749D+02 -0.576112D-04 -0.548910D+01
      4   0.610154D-04  0.267306D+02  0.265039D-04  0.367135D+00 -0.971496D-04
      5   0.185985D+02 -0.507609D-03  0.562391D+01 -0.581328D-04  0.148798D+02
      6   0.220424D-05  0.260833D+01 -0.919025D-04  0.349232D+02 -0.970442D-04
                26            27            28            29            30 
      1  -0.254694D-03 -0.224686D+02 -0.125190D+02 -0.123215D+02 -0.165116D+02
      2   0.286971D-03  0.638488D+00  0.100072D+02  0.103461D+02  0.979152D+01
      3  -0.322770D-04  0.218301D+02  0.251185D+01  0.197540D+01  0.672009D+01
      4   0.398281D+01 -0.199914D-03 -0.106170D+02 -0.224433D+01 -0.642704D-01
      5  -0.376992D-03 -0.223341D+01 -0.203031D+02 -0.167525D+01 -0.863490D+01
      6   0.341154D+02 -0.434618D-04  0.335064D+01 -0.322362D+00  0.221802D+01
                31            32            33            34            35 
      1  -0.177135D+02  0.412631D+01 -0.604622D+01 -0.200726D+02 -0.189663D+01
      2   0.192852D+02 -0.217500D+02  0.267602D+01  0.908499D+01  0.139580D+01
      3  -0.157170D+01  0.176237D+02  0.337019D+01  0.109876D+02  0.500826D+00
      4  -0.141945D+02  0.336575D+02 -0.232723D+01  0.709921D+00 -0.373112D+01
      5  -0.286870D+01 -0.294238D+01 -0.117275D+02 -0.124067D+02 -0.759137D+01
      6  -0.299202D+00  0.183768D+01  0.284618D+01  0.167553D+01  0.398822D+01
                36            37            38            39            40 
      1  -0.896876D+01 -0.125230D+02  0.123234D+02 -0.165107D+02  0.177171D+02
      2   0.138578D+02  0.100090D+02 -0.103489D+02  0.979129D+01 -0.192881D+02
      3  -0.488908D+01  0.251397D+01 -0.197443D+01  0.671943D+01  0.157103D+01
      4  -0.658505D+01  0.106190D+02 -0.224817D+01  0.660181D-01 -0.141996D+02
      5   0.181470D+02 -0.203012D+02  0.167563D+01 -0.863040D+01  0.286868D+01
      6  -0.686664D+01 -0.335014D+01 -0.322768D+00 -0.221694D+01 -0.302302D+00
                41            42            43            44            45 
      1   0.411946D+01  0.604998D+01 -0.200709D+02  0.189942D+01 -0.896133D+01
      2  -0.217458D+02 -0.268195D+01  0.908272D+01 -0.140248D+01  0.138537D+02
      3   0.176263D+02 -0.336803D+01  0.109882D+02 -0.496945D+00 -0.489239D+01
      4  -0.336578D+02 -0.233450D+01 -0.709847D+00 -0.373882D+01  0.658234D+01
      5  -0.295099D+01  0.117233D+02 -0.124006D+02  0.758818D+01  0.181537D+02
      6  -0.184429D+01  0.284528D+01 -0.167526D+01  0.398698D+01  0.687043D+01
                46            47            48            49            50 
      1   0.115774D+01 -0.166782D+01  0.295825D+01 -0.113357D+01 -0.695125D+01
      2  -0.301178D+01  0.421630D+00 -0.368326D+00  0.117694D+01  0.206920D+01
      3   0.185404D+01  0.124619D+01 -0.258992D+01 -0.433716D-01  0.488205D+01
      4  -0.548261D+00  0.342175D+01 -0.225446D+01  0.312747D+01 -0.386925D+00
      5   0.302842D-02 -0.201507D+01  0.557336D+01 -0.168108D+01  0.218704D+01
      6  -0.195738D+01 -0.219172D+01  0.106752D+01 -0.562397D+00 -0.644344D+01
                51            52            53            54            55 
      1   0.522044D+01  0.210390D+01  0.598714D+01 -0.179917D+02  0.115797D+01
      2  -0.840324D+00 -0.196032D+01  0.354112D+01 -0.104993D+02 -0.301174D+01
      3  -0.438012D+01 -0.143573D+00 -0.952826D+01  0.284909D+02  0.185376D+01
      4   0.374422D+00 -0.315991D+01  0.117857D+01  0.470820D+00  0.548215D+00
      5  -0.273901D+01  0.304484D+01 -0.352391D+01  0.869301D+01  0.320951D-02
      6   0.120526D+02 -0.293471D+00  0.906740D+01 -0.157409D+02  0.195747D+01
                56            57            58            59            60 
      1   0.166796D+01  0.295842D+01  0.113368D+01 -0.695137D+01 -0.522062D+01
      2  -0.421766D+00 -0.368292D+00 -0.117736D+01  0.206901D+01  0.840356D+00
      3  -0.124620D+01 -0.259013D+01  0.436772D-01  0.488236D+01  0.438026D+01
      4   0.342174D+01  0.225457D+01  0.312727D+01  0.386702D+00  0.374317D+00
      5   0.201512D+01  0.557319D+01  0.168071D+01  0.218682D+01  0.273923D+01
      6  -0.219181D+01 -0.106768D+01 -0.562445D+00  0.644360D+01  0.120528D+02
                61            62            63            64            65 
      1   0.210374D+01 -0.598701D+01 -0.179914D+02  0.491235D+02  0.690999D+01
      2  -0.196006D+01 -0.354121D+01 -0.104994D+02 -0.295738D+02 -0.568286D+01
      3  -0.143672D+00  0.952822D+01  0.284908D+02 -0.195497D+02 -0.122712D+01
      4   0.316002D+01  0.117868D+01 -0.471044D+00  0.141117D+01  0.730393D+01
      5   0.304497D+01  0.352381D+01  0.869276D+01  0.181256D+02  0.241267D+01
      6   0.293303D+00  0.906747D+01  0.157413D+02 -0.185677D+01  0.133576D+00
                66            67            68            69            70 
      1   0.150415D+02  0.174072D+02  0.541215D+01  0.477526D+01  0.206737D+02
      2  -0.975592D+01 -0.114308D+02 -0.924635D+00 -0.367211D+01 -0.142485D+02
      3  -0.528556D+01 -0.597634D+01 -0.448752D+01 -0.110315D+01 -0.642518D+01
      4   0.108150D+01  0.103605D+02  0.244287D+01  0.419709D+01 -0.199606D+00
      5   0.139388D+02  0.613147D+01  0.408273D+01  0.673330D+01  0.173225D+02
      6  -0.252307D+01  0.717524D+00  0.870785D+00  0.844024D+00 -0.152825D+01
                71            72            73            74            75 
      1   0.165124D+01  0.102999D+02  0.639750D+01 -0.525490D+01  0.207107D+01
      2  -0.223920D+01 -0.108707D+02  0.616820D+00 -0.583525D+00 -0.114575D+01
      3   0.587959D+00  0.570811D+00 -0.701432D+01  0.583842D+01 -0.925313D+00
      4   0.505078D+01  0.212796D+01 -0.923154D+01  0.122942D+02  0.179371D+00
      5   0.289709D+01  0.121092D+02  0.179733D+01  0.288536D+00  0.277099D+01
      6   0.125252D+01 -0.656106D+00 -0.672470D-01 -0.220474D+00 -0.111413D+01
                76            77            78            79            80 
      1  -0.641700D+01 -0.125739D+02  0.123876D+01  0.361165D+01  0.105538D+00
      2  -0.741332D+01  0.391003D+02 -0.164408D+01 -0.185197D+01 -0.902092D+00
      3   0.138303D+02 -0.265264D+02  0.405325D+00 -0.175968D+01  0.796553D+00
      4   0.257815D+02 -0.486509D+02  0.815353D+00 -0.114220D+01  0.224024D+01
      5   0.879794D+00  0.827183D+00 -0.569892D+01  0.509296D+01 -0.551513D+01
      6  -0.509621D+00  0.371530D+00  0.728363D+01 -0.347349D+01  0.781966D+01
                81            82            83            84            85 
      1  -0.653473D+00  0.603009D+01  0.180495D+01 -0.362244D+01  0.557540D+01
      2   0.181830D+01 -0.596307D+01 -0.147792D+01  0.303554D+01 -0.459757D+01
      3  -0.116483D+01 -0.670231D-01 -0.327035D+00  0.586901D+00 -0.977831D+00
      4  -0.461233D+01  0.129575D+01  0.189253D+01  0.831240D-01  0.312905D+01
      5  -0.363694D+00 -0.420923D+01 -0.528151D+00  0.906971D+01 -0.210445D+01
      6  -0.241769D+00  0.299986D+00  0.264286D+00 -0.122137D+01 -0.954437D+00
                86            87            88            89            90 
      1  -0.636779D+00 -0.582023D-01 -0.702035D+01 -0.124966D+00 -0.746850D+00
      2   0.932097D+00  0.286424D+01  0.752708D+01  0.231341D+01 -0.151054D+02
      3  -0.295317D+00 -0.280604D+01 -0.506725D+00 -0.218845D+01  0.158523D+02
      4  -0.635993D+00 -0.380129D+01  0.266074D+01 -0.540746D+01  0.245136D+01
      5  -0.338655D+01  0.675077D+01  0.137226D+02  0.210829D+01 -0.300030D+02
      6  -0.425372D+00  0.210942D+01 -0.236567D+01  0.229409D+01  0.837954D+01
                91            92            93            94            95 
      1   0.491257D+02 -0.691352D+01  0.150390D+02 -0.174129D+02  0.541468D+01
      2  -0.295750D+02  0.568511D+01 -0.975437D+01  0.114342D+02 -0.925871D+00
      3  -0.195507D+02  0.122841D+01 -0.528466D+01  0.597873D+01 -0.448880D+01
      4  -0.141594D+01  0.730492D+01 -0.108303D+01  0.103626D+02 -0.244550D+01
      5   0.181216D+02 -0.241372D+01  0.139359D+02 -0.613209D+01  0.408353D+01
      6   0.185554D+01  0.133170D+00  0.252209D+01  0.717512D+00 -0.870377D+00
                96            97            98            99           100 
      1  -0.477641D+01  0.206702D+02 -0.165209D+01  0.102976D+02  0.639971D+01
      2   0.367303D+01 -0.142457D+02  0.224021D+01 -0.108683D+02  0.616155D+00
      3   0.110338D+01 -0.642443D+01 -0.588123D+00  0.570761D+00 -0.701586D+01
      4   0.419783D+01  0.197736D+00  0.505070D+01 -0.212909D+01  0.923385D+01
      5  -0.673398D+01  0.173188D+02 -0.289774D+01  0.121040D+02  0.179834D+01
      6   0.843729D+00  0.152680D+01  0.125235D+01  0.654247D+00  0.683356D-01
               101           102           103           104           105 
      1   0.525511D+01  0.207174D+01  0.641717D+01 -0.125701D+02 -0.124052D+01
      2   0.584912D+00 -0.114574D+01  0.741419D+01  0.390972D+02  0.164735D+01
      3  -0.584002D+01 -0.925995D+00 -0.138314D+02 -0.265272D+02 -0.406829D+00
      4   0.122969D+02 -0.178070D+00  0.257840D+02  0.486518D+02  0.820188D+00
      5  -0.287223D+00  0.277101D+01 -0.877404D+00  0.832624D+00  0.569966D+01
      6  -0.219933D+00  0.111453D+01 -0.507094D+00 -0.365293D+00  0.728364D+01
               106           107           108           109           110 
      1   0.361319D+01 -0.106796D+00 -0.653921D+00  0.602806D+01 -0.180443D+01
      2  -0.185211D+01  0.905502D+00  0.181861D+01 -0.596181D+01  0.147747D+01
      3  -0.176108D+01 -0.798706D+00 -0.116469D+01 -0.662508D-01  0.326951D+00
      4   0.114569D+01  0.224679D+01  0.461313D+01 -0.129518D+01  0.189246D+01
      5   0.509270D+01  0.551594D+01 -0.361737D+00 -0.420828D+01  0.526926D+00
      6   0.347384D+01  0.781979D+01  0.244313D+00 -0.300589D+00  0.264160D+00
               111           112           113           114           115 
      1  -0.362191D+01 -0.557382D+01 -0.636973D+00  0.574149D-01 -0.701935D+01
      2   0.303460D+01  0.459654D+01  0.932387D+00 -0.286272D+01  0.752605D+01
      3   0.587309D+00  0.977283D+00 -0.295413D+00  0.280530D+01 -0.506707D+00
      4  -0.844642D-01  0.312903D+01  0.637823D+00 -0.379991D+01 -0.266251D+01
      5   0.906834D+01  0.210269D+01 -0.338500D+01 -0.674724D+01  0.137212D+02
      6   0.122111D+01 -0.954177D+00  0.425052D+00  0.211054D+01  0.236645D+01
               116           117 
      1   0.124813D+00 -0.750768D+00
      2  -0.231194D+01 -0.151044D+02
      3   0.218713D+01  0.158552D+02
      4  -0.540671D+01 -0.244859D+01
      5  -0.210511D+01 -0.300058D+02
      6   0.229540D+01 -0.838351D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul 22 18:16:14 2021, MaxMem=  5637144576 cpu:            3689.6 elap:             462.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -88.83989 -10.21689 -10.21657 -10.17473 -10.17473
 Alpha  occ. eigenvalues --   -7.91658  -5.87986  -5.87688  -5.87024  -0.87461
 Alpha  occ. eigenvalues --   -0.74703  -0.70704  -0.59360  -0.58211  -0.47148
 Alpha  occ. eigenvalues --   -0.46388  -0.42762  -0.42170  -0.39306  -0.39159
 Alpha  occ. eigenvalues --   -0.36919  -0.30311  -0.29779  -0.22805
 Alpha virt. eigenvalues --   -0.00780   0.00486   0.01922   0.02026   0.02533
 Alpha virt. eigenvalues --    0.05023   0.06174   0.06238   0.06966   0.07333
 Alpha virt. eigenvalues --    0.08082   0.09528   0.10086   0.10943   0.11496
 Alpha virt. eigenvalues --    0.12374   0.13533   0.14091   0.15080   0.16450
 Alpha virt. eigenvalues --    0.17072   0.17564   0.18335   0.20641   0.21077
 Alpha virt. eigenvalues --    0.22217   0.22685   0.23055   0.23389   0.24105
 Alpha virt. eigenvalues --    0.24951   0.25357   0.25770   0.26054   0.26620
 Alpha virt. eigenvalues --    0.27525   0.27660   0.27989   0.28400   0.29268
 Alpha virt. eigenvalues --    0.29516   0.30368   0.31817   0.32055   0.32159
 Alpha virt. eigenvalues --    0.34213   0.34462   0.35264   0.36626   0.36638
 Alpha virt. eigenvalues --    0.37655   0.37954   0.38810   0.39766   0.40552
 Alpha virt. eigenvalues --    0.41427   0.41684   0.41971   0.42615   0.42785
 Alpha virt. eigenvalues --    0.43680   0.44524   0.45621   0.46451   0.46575
 Alpha virt. eigenvalues --    0.47031   0.47906   0.48367   0.49928   0.51369
 Alpha virt. eigenvalues --    0.54162   0.57143   0.57214   0.58937   0.60355
 Alpha virt. eigenvalues --    0.60731   0.62010   0.63731   0.63744   0.65727
 Alpha virt. eigenvalues --    0.66186   0.66783   0.67486   0.67524   0.68411
 Alpha virt. eigenvalues --    0.68889   0.69640   0.70371   0.71883   0.72522
 Alpha virt. eigenvalues --    0.74720   0.74947   0.75367   0.76894   0.77508
 Alpha virt. eigenvalues --    0.79464   0.79967   0.81473   0.84225   0.84908
 Alpha virt. eigenvalues --    0.86467   0.89184   0.92227   0.96513   0.99196
 Alpha virt. eigenvalues --    1.02469   1.04296   1.06265   1.09178   1.12293
 Alpha virt. eigenvalues --    1.16576   1.18221   1.22497   1.25054   1.26547
 Alpha virt. eigenvalues --    1.27664   1.29137   1.30815   1.38504   1.39385
 Alpha virt. eigenvalues --    1.41372   1.44075   1.49712   1.61479   1.61969
 Alpha virt. eigenvalues --    1.64340   1.64896   1.66991   1.68984   1.70906
 Alpha virt. eigenvalues --    1.71942   1.74366   1.76643   1.78031   1.78906
 Alpha virt. eigenvalues --    1.81253   1.82131   1.82496   1.83727   1.84347
 Alpha virt. eigenvalues --    1.86887   1.88898   1.89060   1.90125   1.91606
 Alpha virt. eigenvalues --    1.96361   1.96520   2.00120   2.02109   2.04409
 Alpha virt. eigenvalues --    2.10437   2.11201   2.12309   2.13359   2.15256
 Alpha virt. eigenvalues --    2.21915   2.22900   2.25084   2.34122   2.35670
 Alpha virt. eigenvalues --    2.39746   2.40821   2.40949   2.49067   2.50156
 Alpha virt. eigenvalues --    2.50533   2.53344   2.54007   2.54047   2.54421
 Alpha virt. eigenvalues --    2.57704   2.59001   2.64727   2.68122   2.72276
 Alpha virt. eigenvalues --    2.73001   2.74094   2.76610   2.79623   2.81327
 Alpha virt. eigenvalues --    2.81349   2.89145   2.89661   2.91281   3.00704
 Alpha virt. eigenvalues --    3.04011   3.08526   3.10569   3.13207   3.16703
 Alpha virt. eigenvalues --    3.18188   3.24306   3.25116   3.27183   3.28641
 Alpha virt. eigenvalues --    3.30857   3.35186   3.37434   3.39287   3.40071
 Alpha virt. eigenvalues --    3.43315   3.44077   3.46997   3.50307   3.58762
 Alpha virt. eigenvalues --    3.58769   3.63696   3.63722   3.68696   3.70325
 Alpha virt. eigenvalues --    3.74993   3.76228   3.84642   3.87267   3.91117
 Alpha virt. eigenvalues --    3.94818   4.04834   4.08351   4.11570   4.11685
 Alpha virt. eigenvalues --    4.19018   4.22167   4.35319   4.45092   4.45656
 Alpha virt. eigenvalues --    4.47960   4.52957   4.59739   4.65960   4.72452
 Alpha virt. eigenvalues --    4.84087   4.92768   4.99937   5.11388   9.11948
 Alpha virt. eigenvalues --    9.27135   9.65455  19.82813  22.48024  22.50457
 Alpha virt. eigenvalues --   22.68496  22.75071
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.118855  -0.529095   0.239098  -0.293387   0.190401   0.364328
     2  C   -0.529095   6.118882   0.239102   0.190402  -0.293397  -0.153138
     3  S    0.239098   0.239102  15.990325  -0.072525  -0.072520  -0.014246
     4  C   -0.293387   0.190402  -0.072525   6.335677  -0.018647  -0.083458
     5  C    0.190401  -0.293397  -0.072520  -0.018647   6.335656   0.041002
     6  H    0.364328  -0.153138  -0.014246  -0.083458   0.041002   0.503745
     7  H   -0.153099   0.364280  -0.014237   0.040992  -0.083457   0.015685
     8  H   -0.064238   0.031221   0.009952   0.391526  -0.001763  -0.005192
     9  H   -0.036886   0.015014   0.008464   0.353206  -0.000729  -0.000110
    10  H    0.033622  -0.062614   0.000501   0.339084   0.002472  -0.000756
    11  H    0.031224  -0.064242   0.009949  -0.001763   0.391540   0.000688
    12  H    0.015028  -0.036906   0.008463  -0.000729   0.353217   0.001226
    13  H   -0.062628   0.033629   0.000501   0.002472   0.339085   0.000981
               7          8          9         10         11         12
     1  C   -0.153099  -0.064238  -0.036886   0.033622   0.031224   0.015028
     2  C    0.364280   0.031221   0.015014  -0.062614  -0.064242  -0.036906
     3  S   -0.014237   0.009952   0.008464   0.000501   0.009949   0.008463
     4  C    0.040992   0.391526   0.353206   0.339084  -0.001763  -0.000729
     5  C   -0.083457  -0.001763  -0.000729   0.002472   0.391540   0.353217
     6  H    0.015685  -0.005192  -0.000110  -0.000756   0.000688   0.001226
     7  H    0.503754   0.000689   0.001225   0.000981  -0.005194  -0.000112
     8  H    0.000689   0.321826   0.024552   0.007909  -0.000116  -0.000098
     9  H    0.001225   0.024552   0.343371   0.013742  -0.000098   0.000173
    10  H    0.000981   0.007909   0.013742   0.352427   0.000434   0.000262
    11  H   -0.005194  -0.000116  -0.000098   0.000434   0.321831   0.024550
    12  H   -0.000112  -0.000098   0.000173   0.000262   0.024550   0.343362
    13  H   -0.000756   0.000434   0.000262  -0.000146   0.007905   0.013737
              13
     1  C   -0.062628
     2  C    0.033629
     3  S    0.000501
     4  C    0.002472
     5  C    0.339085
     6  H    0.000981
     7  H   -0.000756
     8  H    0.000434
     9  H    0.000262
    10  H   -0.000146
    11  H    0.007905
    12  H    0.013737
    13  H    0.352440
 Mulliken charges:
               1
     1  C    0.146777
     2  C    0.146863
     3  S   -0.332826
     4  C   -1.182849
     5  C   -1.182860
     6  H    0.329244
     7  H    0.329250
     8  H    0.283300
     9  H    0.277816
    10  H    0.312082
    11  H    0.283294
    12  H    0.277827
    13  H    0.312083
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.476021
     2  C    0.476112
     3  S   -0.332826
     4  C   -0.309651
     5  C   -0.309657
 Electronic spatial extent (au):  <R**2>=            578.3528
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0000    Y=             -2.2361    Z=             -0.0000  Tot=              2.2361
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -38.1036   YY=            -41.5698   ZZ=            -39.2173
   XY=              0.0000   XZ=              1.1491   YZ=              0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.5266   YY=             -1.9395   ZZ=              0.4129
   XY=              0.0000   XZ=              1.1491   YZ=              0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -0.0000  YYY=             -2.3727  ZZZ=              0.0003  XYY=             -0.0002
  XXY=             -0.7744  XXZ=              0.0000  XZZ=              0.0002  YZZ=             -2.3412
  YYZ=             -0.0003  XYZ=              1.3599
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -448.9192 YYYY=           -267.8330 ZZZZ=            -89.8051 XXXY=             -0.0003
 XXXZ=              6.4125 YYYX=              0.0002 YYYZ=              0.0009 ZZZX=              0.5959
 ZZZY=             -0.0003 XXYY=           -123.4539 XXZZ=            -89.9876 YYZZ=            -65.8386
 XXYZ=             -0.0003 YYXZ=              3.7230 ZZXY=              0.0003
 N-N= 2.267409910414D+02 E-N=-1.764487233465D+03  KE= 5.539405222990D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul 22 18:16:14 2021, MaxMem=  5637144576 cpu:               2.2 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 2.67430693D-06-8.57372714D-01 9.30935562D-08
 Polarizability= 7.13328262D+01-2.51586110D-05 7.29207391D+01
                 1.90754977D+00 1.52007075D-04 5.43334485D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0521    0.0513       -0.0000   -0.0000
 2     -0.0521   -0.0513       -0.0001   -0.0001        0.5249    0.5254
 3      0.0000    0.0000        8.9022    8.9007        0.0001    0.0001
 4      0.0001    0.0001        0.0000    0.0000        0.0000    0.0000
 5     -9.4271   -9.4261       -0.0000   -0.0000        0.0512    0.0513
 6     -0.0001   -0.0001       -0.0512   -0.0513       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.1540   -0.1540       -0.0000   -0.0000
 2      0.0002    0.0002        0.0000    0.0000       -0.0000   -0.0000
 3      0.0002    0.0002       -0.1540   -0.1540        0.0000    0.0000
 4     -0.1540   -0.1540       -0.0002   -0.0002        1.5762    1.5762
 5      0.0000    0.0000       26.7021   26.7021        0.0002    0.0002
 6    -28.2784  -28.2784       -0.0000   -0.0000        0.1540    0.1540
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0001    0.0000       -0.1934   -0.2053        0.0001    0.0000
 2      0.0741    0.2053        0.0002    0.0003       -2.0197   -2.1017
 3      0.0000   -0.0000      -35.6875  -35.6028       -0.0002   -0.0003
 4     -0.0003   -0.0003        0.0200    0.0000       -0.0000   -0.0000
 5     37.7196   37.7045        0.0000    0.0000       -0.1811   -0.2053
 6      0.0002    0.0003        0.2284    0.2053        0.0000    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0001    0.0000        3.6399    3.5376       -0.0004   -0.0004
 2     -3.6056   -3.5376       -0.0004   -0.0003      -11.0658  -11.1537
 3      0.0004    0.0004        0.9870    1.0366        0.0003    0.0003
 4      0.0003    0.0003       -0.0173    0.0000        0.0004    0.0004
 5      9.9846   10.1170       -0.0005   -0.0004        3.5201    3.5376
 6     -0.0003   -0.0003       -3.6107   -3.5376       -0.0000    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0019   -0.0020       34.5988   34.7801        0.0031    0.0031
 2     -0.0024   -0.0025       48.4684   48.5204        0.0031    0.0031
 3     -0.0024   -0.0025       34.6311   34.7801        0.0025    0.0025
 4    -13.7373  -13.7403        0.0004    0.0004        9.9246    9.9489
 5     -0.0006   -0.0006       -8.0780   -7.9777       -0.0004   -0.0004
 6     -2.0082   -1.9712        0.0006    0.0006       13.5084   13.7403
 Full mass-weighted force constant matrix:
 Low frequencies ---   -7.0016   -1.1227   -0.0009    0.0003    0.0019    3.6006
 Low frequencies ---  209.1279  224.7636  237.1799
 Diagonal vibrational polarizability:
        1.3601567       3.4058184       0.7297063
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --    209.1277               224.7631               237.1799
 Red. masses --      1.3772                 1.0856                 1.5655
 Frc consts  --      0.0355                 0.0323                 0.0519
 IR Inten    --      0.3954                 0.0473                 0.7830
 RamAct Fr= 1--      1.0232                 0.0575                 0.8554
  Dep-P Fr= 1--      0.7495                 0.7500                 0.5727
  Dep-U Fr= 1--      0.8568                 0.8571                 0.7283
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0029
 Beta2  Fr= 1--      0.1461                 0.0082                 0.1038
 AlphaG Fr= 1--      0.0001                 0.0000                -0.0181
 Gamma2 Fr= 1--      0.7396                -0.0971                -0.2687
 Delta2 Fr= 1--     -0.4730                 0.0699                 0.2106
 Raman1 Fr= 1--       4.093                  0.230                  3.421
 ROA1   Fr= 1--      55.865                 -7.087                -19.054
 CID1   Fr= 1--      13.649                -30.824                 -5.569
 Raman2 Fr= 1--       1.753                  0.099                  1.246
 ROA2   Fr= 1--      21.534                 -2.890                 -8.132
 CID2   Fr= 1--      12.281                -29.328                 -6.527
 Raman3 Fr= 1--       3.507                  0.197                  2.492
 ROA3   Fr= 1--      55.865                 -7.087                -19.054
 CID3   Fr= 1--      15.930                -35.962                 -7.646
 RC180  Fr= 1--       0.714                  0.714                  0.457
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.05  -0.00    -0.00  -0.00   0.01    -0.00  -0.06   0.01
     2   6    -0.01  -0.05   0.00    -0.00   0.00   0.01     0.00  -0.06  -0.01
     3  16     0.00  -0.05   0.00     0.02   0.00   0.03    -0.00  -0.07   0.00
     4   6     0.05   0.09   0.01    -0.02   0.00  -0.04     0.05   0.11  -0.01
     5   6    -0.05   0.09  -0.01    -0.02  -0.00  -0.04    -0.05   0.11   0.01
     6   1     0.02  -0.05   0.00     0.03  -0.00   0.02     0.01  -0.10  -0.00
     7   1    -0.02  -0.05  -0.00     0.03   0.00   0.02    -0.01  -0.10   0.00
     8   1    -0.00   0.44  -0.18     0.01   0.31  -0.32    -0.02  -0.05   0.22
     9   1     0.32   0.13   0.30     0.14   0.04   0.31     0.08   0.09  -0.38
    10   1    -0.10  -0.17  -0.08    -0.22  -0.33  -0.16     0.15   0.48   0.10
    11   1     0.00   0.44   0.18     0.01  -0.31  -0.32     0.02  -0.05  -0.22
    12   1    -0.32   0.13  -0.30     0.14  -0.04   0.31    -0.08   0.09   0.38
    13   1     0.09  -0.17   0.08    -0.22   0.33  -0.16    -0.15   0.48  -0.10
                      4                      5                      6
                      A                      A                      A
 Frequencies --    298.6248               336.0273               444.9399
 Red. masses --      2.2151                 3.9331                 2.8344
 Frc consts  --      0.1164                 0.2617                 0.3306
 IR Inten    --      0.1657                 1.7124                 0.2554
 RamAct Fr= 1--      0.0586                 3.5703                 5.8225
  Dep-P Fr= 1--      0.7500                 0.7500                 0.0436
  Dep-U Fr= 1--      0.8571                 0.8571                 0.0836
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.1168
 Beta2  Fr= 1--      0.0084                 0.5100                 0.0812
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0209
 Gamma2 Fr= 1--     -0.2137                -0.6289                 0.0489
 Delta2 Fr= 1--     -0.0083                -0.0753                -0.0374
 Raman1 Fr= 1--       0.234                 14.281                 23.290
 ROA1   Fr= 1--     -20.783                -62.785                  3.501
 CID1   Fr= 1--     -88.641                 -4.396                  0.150
 Raman2 Fr= 1--       0.100                  6.121                  0.974
 ROA2   Fr= 1--      -5.062                -14.492                  1.473
 CID2   Fr= 1--     -50.379                 -2.368                  1.512
 Raman3 Fr= 1--       0.201                 12.241                  1.948
 ROA3   Fr= 1--     -20.783                -62.785                  3.501
 CID3   Fr= 1--    -103.414                 -5.129                  1.797
 RC180  Fr= 1--       0.714                  0.714                 -0.833
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.07   0.17    -0.15  -0.03   0.03     0.12   0.02  -0.12
     2   6     0.07  -0.07   0.17    -0.15   0.03   0.03    -0.12   0.02   0.12
     3  16     0.00  -0.00  -0.02     0.21  -0.00  -0.03    -0.00   0.04   0.00
     4   6    -0.06   0.01  -0.11    -0.10   0.19   0.01     0.21  -0.07   0.02
     5   6    -0.06  -0.01  -0.11    -0.10  -0.19   0.01    -0.21  -0.07  -0.02
     6   1     0.20   0.18   0.22    -0.15  -0.04   0.03     0.25   0.14  -0.07
     7   1     0.20  -0.18   0.22    -0.15   0.04   0.03    -0.25   0.14   0.07
     8   1     0.12  -0.18  -0.22    -0.21   0.28   0.09     0.09  -0.08   0.20
     9   1    -0.18  -0.02  -0.31     0.13   0.20  -0.15     0.16  -0.07   0.09
    10   1    -0.26   0.16  -0.09    -0.15   0.39   0.06     0.47  -0.11   0.03
    11   1     0.12   0.18  -0.22    -0.21  -0.28   0.09    -0.09  -0.08  -0.20
    12   1    -0.18   0.02  -0.31     0.13  -0.20  -0.15    -0.16  -0.07  -0.09
    13   1    -0.26  -0.16  -0.09    -0.15  -0.39   0.06    -0.47  -0.11  -0.03
                      7                      8                      9
                      A                      A                      A
 Frequencies --    599.4854               616.5952               839.6924
 Red. masses --      7.5805                 4.0588                 2.0572
 Frc consts  --      1.6051                 0.9092                 0.8546
 IR Inten    --     25.6985                 2.5850                 1.5768
 RamAct Fr= 1--     26.4604                16.2417                 9.6319
  Dep-P Fr= 1--      0.1443                 0.7500                 0.1915
  Dep-U Fr= 1--      0.2522                 0.8571                 0.3214
 Alpha2 Fr= 1--      0.4150                 0.0000                 0.1338
 Beta2  Fr= 1--      1.1121                 2.3202                 0.5159
 AlphaG Fr= 1--      0.2825                 0.0000                 0.0075
 Gamma2 Fr= 1--      3.2218                -5.1041                -2.6557
 Delta2 Fr= 1--     -0.1986                -0.8507                 0.6862
 Raman1 Fr= 1--     105.841                 64.967                 38.528
 ROA1   Fr= 1--     302.933               -517.217               -232.988
 CID1   Fr= 1--       2.862                 -7.961                 -6.047
 Raman2 Fr= 1--      13.345                 27.843                  6.191
 ROA2   Fr= 1--      78.911               -115.693                -69.227
 CID2   Fr= 1--       5.913                 -4.155                -11.181
 Raman3 Fr= 1--      26.691                 55.686                 12.383
 ROA3   Fr= 1--     302.933               -517.217               -232.988
 CID3   Fr= 1--      11.350                 -9.288                -18.815
 RC180  Fr= 1--      -0.496                  0.714                 -0.357
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12  -0.37  -0.04     0.00   0.31  -0.13    -0.02  -0.02  -0.16
     2   6     0.12  -0.37   0.04     0.00  -0.31  -0.13     0.02  -0.02   0.16
     3  16     0.00   0.32   0.00     0.07  -0.00   0.09    -0.00  -0.03  -0.00
     4   6    -0.00  -0.05  -0.02    -0.07   0.05   0.01    -0.14   0.04  -0.01
     5   6     0.00  -0.05   0.02    -0.07  -0.05   0.01     0.14   0.04   0.01
     6   1    -0.09  -0.24  -0.01     0.04   0.24  -0.14     0.18   0.05  -0.11
     7   1     0.09  -0.24   0.01     0.04  -0.24  -0.14    -0.18   0.05   0.11
     8   1    -0.19   0.17   0.07    -0.01  -0.12   0.06    -0.40   0.11   0.31
     9   1     0.35  -0.03  -0.13    -0.43   0.03   0.20    -0.14   0.06   0.22
    10   1    -0.05   0.11   0.02     0.15  -0.16  -0.03     0.27  -0.06   0.01
    11   1     0.19   0.17  -0.07    -0.01   0.12   0.06     0.40   0.11  -0.31
    12   1    -0.35  -0.03   0.13    -0.43  -0.03   0.20     0.14   0.06  -0.22
    13   1     0.05   0.11  -0.02     0.15   0.16  -0.03    -0.27  -0.06  -0.01
                     10                     11                     12
                      A                      A                      A
 Frequencies --    970.5395               996.2112              1007.6387
 Red. masses --      1.1475                 1.1191                 1.4723
 Frc consts  --      0.6368                 0.6544                 0.8808
 IR Inten    --      7.0527                 1.4604                 6.8214
 RamAct Fr= 1--      0.9567                 2.3558                 4.6391
  Dep-P Fr= 1--      0.7500                 0.1627                 0.7500
  Dep-U Fr= 1--      0.8571                 0.2799                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0353                 0.0000
 Beta2  Fr= 1--      0.1367                 0.1099                 0.6627
 AlphaG Fr= 1--     -0.0000                 0.1064                 0.0000
 Gamma2 Fr= 1--      0.8885                -1.2872                -1.9703
 Delta2 Fr= 1--      0.0046                -1.2311                 1.3592
 Raman1 Fr= 1--       3.827                  9.423                 18.556
 ROA1   Fr= 1--      85.442               -162.969               -145.657
 CID1   Fr= 1--      22.327                -17.295                 -7.849
 Raman2 Fr= 1--       1.640                  1.319                  7.953
 ROA2   Fr= 1--      21.287                -21.045                -58.162
 CID2   Fr= 1--      12.979                -15.956                 -7.313
 Raman3 Fr= 1--       3.280                  2.638                 15.906
 ROA3   Fr= 1--      85.442               -162.969               -145.657
 CID3   Fr= 1--      26.048                -61.782                 -9.158
 RC180  Fr= 1--       0.714                 -0.440                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.00  -0.00     0.01  -0.00  -0.03     0.07  -0.07   0.02
     2   6    -0.03  -0.00  -0.00    -0.01  -0.00   0.03     0.07   0.07   0.02
     3  16    -0.00  -0.00   0.02     0.00  -0.01   0.00    -0.00  -0.00  -0.01
     4   6    -0.00  -0.05  -0.05    -0.03  -0.05   0.03    -0.08   0.06  -0.04
     5   6    -0.00   0.05  -0.05     0.03  -0.05  -0.03    -0.08  -0.06  -0.04
     6   1     0.24   0.45   0.14     0.03   0.55   0.10     0.35  -0.21   0.04
     7   1     0.24  -0.45   0.14    -0.03   0.55  -0.10     0.35   0.21   0.04
     8   1    -0.24   0.14   0.15    -0.09   0.14  -0.03    -0.20  -0.04   0.21
     9   1     0.27  -0.02  -0.01     0.26  -0.03  -0.15    -0.25   0.06   0.25
    10   1     0.20   0.05   0.01    -0.18   0.17   0.07     0.27  -0.15  -0.05
    11   1    -0.24  -0.14   0.15     0.09   0.14   0.03    -0.20   0.04   0.21
    12   1     0.27   0.02  -0.01    -0.26  -0.03   0.15    -0.25  -0.06   0.25
    13   1     0.20  -0.05   0.01     0.18   0.17  -0.07     0.27   0.15  -0.05
                     13                     14                     15
                      A                      A                      A
 Frequencies --   1081.2906              1084.5669              1116.4943
 Red. masses --      1.4620                 2.4386                 1.5803
 Frc consts  --      1.0071                 1.6901                 1.1607
 IR Inten    --     12.6244                 6.9021                 9.5539
 RamAct Fr= 1--      5.9917                 0.8601                 2.6972
  Dep-P Fr= 1--      0.1656                 0.7500                 0.7500
  Dep-U Fr= 1--      0.2841                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0890                 0.0000                 0.0000
 Beta2  Fr= 1--      0.2837                 0.1229                 0.3853
 AlphaG Fr= 1--      0.0898                 0.0000                -0.0000
 Gamma2 Fr= 1--      0.1577                -2.5647                -0.3543
 Delta2 Fr= 1--     -0.6704                -0.6678                -0.4405
 Raman1 Fr= 1--      23.967                  3.440                 10.789
 ROA1   Fr= 1--      -6.315               -267.576                -48.106
 CID1   Fr= 1--      -0.263                -77.775                 -4.459
 Raman2 Fr= 1--       3.404                  1.474                  4.624
 ROA2   Fr= 1--       9.148                -56.210                 -4.978
 CID2   Fr= 1--       2.687                -38.122                 -1.077
 Raman3 Fr= 1--       6.809                  2.949                  9.247
 ROA3   Fr= 1--      -6.315               -267.576                -48.106
 CID3   Fr= 1--      -0.927                -90.737                 -5.202
 RC180  Fr= 1--      -0.432                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.09  -0.02     0.14  -0.09  -0.12    -0.09  -0.08  -0.01
     2   6    -0.03  -0.09   0.02     0.14   0.09  -0.12    -0.09   0.08  -0.01
     3  16     0.00   0.00  -0.00    -0.01   0.00   0.02     0.01  -0.00   0.01
     4   6     0.01   0.09   0.05    -0.10   0.02   0.11     0.07   0.08  -0.01
     5   6    -0.01   0.09  -0.05    -0.10  -0.02   0.11     0.07  -0.08  -0.01
     6   1     0.24   0.30   0.11     0.12   0.42  -0.02     0.03   0.40   0.12
     7   1    -0.24   0.30  -0.11     0.12  -0.42  -0.02     0.03  -0.40   0.12
     8   1     0.25  -0.20  -0.09     0.00   0.06  -0.08     0.28  -0.23  -0.08
     9   1    -0.40   0.04   0.04    -0.08   0.01  -0.10    -0.31   0.04   0.05
    10   1    -0.16  -0.12  -0.03    -0.43   0.14   0.10     0.05  -0.21  -0.09
    11   1    -0.25  -0.20   0.09     0.00  -0.06  -0.08     0.28   0.23  -0.08
    12   1     0.40   0.04  -0.04    -0.07  -0.01  -0.10    -0.31  -0.04   0.05
    13   1     0.16  -0.12   0.03    -0.43  -0.14   0.10     0.05   0.21  -0.09
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1181.9917              1209.2001              1333.5710
 Red. masses --      1.7776                 1.7166                 1.2358
 Frc consts  --      1.4632                 1.4788                 1.2949
 IR Inten    --      0.4644                 2.9901                 4.5762
 RamAct Fr= 1--      4.0274                14.6409                 1.0001
  Dep-P Fr= 1--      0.0461                 0.2820                 0.7500
  Dep-U Fr= 1--      0.0882                 0.4399                 0.8571
 Alpha2 Fr= 1--      0.0803                 0.1584                 0.0000
 Beta2  Fr= 1--      0.0592                 1.0734                 0.1429
 AlphaG Fr= 1--     -0.0565                -0.2401                 0.0000
 Gamma2 Fr= 1--      0.4315                -1.0749                -0.6969
 Delta2 Fr= 1--      0.0676                -0.0483                -0.0367
 Raman1 Fr= 1--      16.110                 58.564                  4.000
 ROA1   Fr= 1--      43.588               -104.740                -68.078
 CID1   Fr= 1--       2.706                 -1.788                -17.018
 Raman2 Fr= 1--       0.710                 12.881                  1.714
 ROA2   Fr= 1--       9.815                -25.412                -16.432
 CID2   Fr= 1--      13.818                 -1.973                 -9.584
 Raman3 Fr= 1--       1.421                 25.761                  3.429
 ROA3   Fr= 1--      43.588               -104.740                -68.078
 CID3   Fr= 1--      30.683                 -4.066                -19.855
 RC180  Fr= 1--      -0.824                 -0.120                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.02  -0.12    -0.11   0.01  -0.12    -0.07   0.02  -0.03
     2   6    -0.09   0.02   0.12     0.11   0.01   0.12    -0.07  -0.02  -0.03
     3  16     0.00   0.01  -0.00     0.00  -0.02   0.00     0.00  -0.00  -0.00
     4   6    -0.03  -0.01   0.11     0.06   0.02   0.00     0.01  -0.01   0.06
     5   6     0.03  -0.01  -0.11    -0.06   0.02  -0.00     0.01   0.01   0.06
     6   1     0.04  -0.40  -0.22    -0.59   0.16  -0.18     0.60  -0.23   0.03
     7   1    -0.04  -0.40   0.22     0.59   0.16   0.18     0.60   0.23   0.03
     8   1     0.09   0.07  -0.14     0.16  -0.06  -0.09     0.14   0.02  -0.14
     9   1     0.01  -0.02  -0.15    -0.11   0.00  -0.07     0.04  -0.02  -0.15
    10   1    -0.40   0.15   0.10    -0.03  -0.08  -0.04    -0.08   0.00   0.04
    11   1    -0.09   0.07   0.14    -0.16  -0.06   0.09     0.14  -0.02  -0.14
    12   1    -0.01  -0.02   0.15     0.11   0.00   0.07     0.04   0.02  -0.15
    13   1     0.40   0.15  -0.10     0.03  -0.08   0.04    -0.08  -0.00   0.04
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1414.1948              1414.9195              1432.2579
 Red. masses --      1.2185                 1.2506                 1.9642
 Frc consts  --      1.4358                 1.4751                 2.3739
 IR Inten    --      0.9937                 8.4806                 8.4026
 RamAct Fr= 1--      0.5995                 1.8822                 4.1957
  Dep-P Fr= 1--      0.3763                 0.7500                 0.1669
  Dep-U Fr= 1--      0.5468                 0.8571                 0.2861
 Alpha2 Fr= 1--      0.0048                 0.0000                 0.0621
 Beta2  Fr= 1--      0.0546                 0.2689                 0.2000
 AlphaG Fr= 1--     -0.0117                -0.0000                -0.0070
 Gamma2 Fr= 1--     -0.6827                 0.3103                -0.6328
 Delta2 Fr= 1--      0.0014                -0.1744                 0.3867
 Raman1 Fr= 1--       2.398                  7.529                 16.783
 ROA1   Fr= 1--     -65.493                 24.205                -48.373
 CID1   Fr= 1--     -27.310                  3.215                 -2.882
 Raman2 Fr= 1--       0.656                  3.227                  2.400
 ROA2   Fr= 1--     -16.396                  8.842                -18.281
 CID2   Fr= 1--     -25.005                  2.740                 -7.616
 Raman3 Fr= 1--       1.311                  6.453                  4.801
 ROA3   Fr= 1--     -65.493                 24.205                -48.373
 CID3   Fr= 1--     -49.941                  3.751                -10.076
 RC180  Fr= 1--       0.094                  0.714                 -0.428
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.01     0.02  -0.00   0.00    -0.18   0.05  -0.03
     2   6     0.03   0.01   0.01     0.02   0.00   0.00     0.18   0.05   0.03
     3  16     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.01   0.00
     4   6    -0.08   0.03   0.04    -0.09   0.03   0.03     0.07  -0.03   0.03
     5   6     0.08   0.03  -0.04    -0.09  -0.04   0.03    -0.07  -0.03  -0.03
     6   1     0.10  -0.02  -0.00    -0.07   0.02  -0.01     0.56  -0.11   0.07
     7   1    -0.11  -0.02   0.00    -0.07  -0.02  -0.01    -0.56  -0.11  -0.07
     8   1     0.24  -0.18  -0.22     0.22  -0.23  -0.20    -0.03   0.18  -0.01
     9   1     0.36   0.04  -0.24     0.39   0.05  -0.16    -0.13  -0.06  -0.22
    10   1     0.32  -0.23   0.01     0.35  -0.21   0.00    -0.14  -0.07  -0.01
    11   1    -0.24  -0.18   0.22     0.22   0.23  -0.20     0.03   0.18   0.01
    12   1    -0.35   0.04   0.24     0.39  -0.05  -0.16     0.13  -0.06   0.22
    13   1    -0.31  -0.23  -0.01     0.35   0.21   0.01     0.14  -0.07   0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1481.9876              1486.9626              1496.7428
 Red. masses --      1.0422                 1.0804                 1.0408
 Frc consts  --      1.3487                 1.4074                 1.3738
 IR Inten    --      9.9779                 6.0692                 9.8631
 RamAct Fr= 1--      5.8795                 3.7781                 9.9059
  Dep-P Fr= 1--      0.7500                 0.7411                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8513                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0006                 0.0000
 Beta2  Fr= 1--      0.8399                 0.5360                 1.4151
 AlphaG Fr= 1--      0.0000                 0.0130                -0.0000
 Gamma2 Fr= 1--      1.1424                 3.4244                -4.4797
 Delta2 Fr= 1--      2.1870                -0.1694                -2.6750
 Raman1 Fr= 1--      23.518                 15.112                 39.624
 ROA1   Fr= 1--     179.658                323.316               -515.649
 CID1   Fr= 1--       7.639                 21.394                -13.014
 Raman2 Fr= 1--      10.079                  6.432                 16.982
 ROA2   Fr= 1--       9.923                 83.540                -86.112
 CID2   Fr= 1--       0.984                 12.987                 -5.071
 Raman3 Fr= 1--      20.158                 12.865                 33.963
 ROA3   Fr= 1--     179.658                323.316               -515.649
 CID3   Fr= 1--       8.912                 25.132                -15.183
 RC180  Fr= 1--       0.714                  0.703                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.01    -0.04  -0.00  -0.02     0.01  -0.01   0.01
     2   6    -0.01   0.01  -0.01     0.04  -0.00   0.02     0.01   0.01   0.01
     3  16     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6    -0.02  -0.02  -0.02    -0.02  -0.03  -0.01    -0.01  -0.03   0.02
     5   6    -0.02   0.02  -0.02     0.02  -0.03   0.01    -0.01   0.03   0.02
     6   1     0.04   0.00   0.00     0.10  -0.00   0.00    -0.06   0.03   0.01
     7   1     0.04  -0.00   0.00    -0.10  -0.00  -0.00    -0.06  -0.03   0.01
     8   1     0.18  -0.16  -0.17     0.21  -0.06  -0.27     0.02   0.38  -0.33
     9   1     0.07   0.02   0.45    -0.00   0.01   0.37    -0.30  -0.05  -0.13
    10   1     0.06   0.43   0.12     0.14   0.43   0.14     0.36   0.11   0.09
    11   1     0.18   0.16  -0.17    -0.21  -0.06   0.27     0.02  -0.37  -0.32
    12   1     0.07  -0.02   0.45     0.00   0.01  -0.37    -0.29   0.05  -0.12
    13   1     0.06  -0.43   0.12    -0.14   0.43  -0.14     0.35  -0.11   0.09
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1496.8401              3022.3890              3023.5479
 Red. masses --      1.0650                 1.0409                 1.0407
 Frc consts  --      1.4060                 5.6020                 5.6056
 IR Inten    --      1.2565                32.5842                29.1358
 RamAct Fr= 1--      5.0215                49.2147               460.5320
  Dep-P Fr= 1--      0.7066                 0.7500                 0.0328
  Dep-U Fr= 1--      0.8281                 0.8571                 0.0635
 Alpha2 Fr= 1--      0.0038                 0.0000                 9.4755
 Beta2  Fr= 1--      0.6930                 7.0305                 4.8762
 AlphaG Fr= 1--     -0.0404                 0.0000                 2.9884
 Gamma2 Fr= 1--      2.6770                 2.1036                11.2350
 Delta2 Fr= 1--      1.2954                -1.4093                -3.6905
 Raman1 Fr= 1--      20.086                196.859               1842.128
 ROA1   Fr= 1--     298.449                156.842                960.462
 CID1   Fr= 1--      14.858                  0.797                  0.521
 Raman2 Fr= 1--       8.316                 84.367                 58.515
 ROA2   Fr= 1--      53.886                 61.760                299.163
 CID2   Fr= 1--       6.480                  0.732                  5.113
 Raman3 Fr= 1--      16.632                168.733                117.030
 ROA3   Fr= 1--     298.449                156.842                960.462
 CID3   Fr= 1--      17.944                  0.930                  8.207
 RC180  Fr= 1--       0.656                  0.714                 -0.873
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.01   0.02    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.03  -0.02  -0.02    -0.00   0.00  -0.00    -0.00   0.00   0.00
     3  16    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     4   6    -0.01  -0.02   0.02     0.02  -0.03  -0.01     0.02  -0.03  -0.01
     5   6     0.01  -0.02  -0.02     0.02   0.03  -0.01    -0.02  -0.03   0.01
     6   1    -0.08   0.02   0.01     0.00  -0.00   0.01    -0.00  -0.01   0.02
     7   1     0.08   0.02  -0.01     0.00   0.00   0.01     0.00  -0.01  -0.02
     8   1    -0.04   0.40  -0.26    -0.21  -0.13  -0.16    -0.21  -0.13  -0.16
     9   1    -0.31  -0.05  -0.21    -0.04   0.57  -0.04    -0.04   0.57  -0.04
    10   1     0.32   0.01   0.06    -0.03  -0.08   0.28    -0.03  -0.09   0.28
    11   1     0.04   0.41   0.27    -0.21   0.13  -0.16     0.21  -0.13   0.16
    12   1     0.32  -0.05   0.21    -0.04  -0.57  -0.04     0.04   0.57   0.04
    13   1    -0.33   0.02  -0.06    -0.03   0.08   0.27     0.03  -0.09  -0.28
                     28                     29                     30
                      A                      A                      A
 Frequencies --   3085.4594              3086.1435              3107.1081
 Red. masses --      1.0938                 1.0938                 1.0994
 Frc consts  --      6.1354                 6.1377                 6.2533
 IR Inten    --      9.4091                18.5080                16.9283
 RamAct Fr= 1--     51.1828               149.4071                22.1618
  Dep-P Fr= 1--      0.7500                 0.5959                 0.7500
  Dep-U Fr= 1--      0.8571                 0.7468                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.4274                 0.0000
 Beta2  Fr= 1--      7.3118                18.5964                 3.1659
 AlphaG Fr= 1--     -0.0000                -1.0350                 0.0000
 Gamma2 Fr= 1--     40.2568               -26.5817               -32.2741
 Delta2 Fr= 1--     21.5774               -14.7760               -31.3291
 Raman1 Fr= 1--     204.731                597.628                 88.647
 ROA1   Fr= 1--    4555.127              -3024.677              -4100.841
 CID1   Fr= 1--      22.249                 -5.061                -46.260
 Raman2 Fr= 1--      87.742                223.157                 37.990
 ROA2   Fr= 1--     793.544               -519.753               -523.944
 CID2   Fr= 1--       9.044                 -2.329                -13.792
 Raman3 Fr= 1--     175.483                446.314                 75.981
 ROA3   Fr= 1--    4555.127              -3024.677              -4100.841
 CID3   Fr= 1--      25.958                 -6.777                -53.972
 RC180  Fr= 1--       0.714                  0.494                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.02
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.02
     3  16     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.03   0.05  -0.01    -0.03  -0.05   0.01    -0.02  -0.00  -0.06
     5   6     0.03  -0.05  -0.01     0.03  -0.05  -0.01    -0.02   0.00  -0.06
     6   1     0.01   0.01  -0.05    -0.01  -0.01   0.05     0.05   0.06  -0.27
     7   1     0.01  -0.01  -0.05     0.01  -0.01  -0.05     0.05  -0.06  -0.27
     8   1    -0.35  -0.19  -0.26     0.36   0.19   0.27     0.31   0.17   0.21
     9   1     0.04  -0.39   0.03    -0.04   0.39  -0.03    -0.00  -0.03  -0.01
    10   1    -0.03  -0.08   0.33     0.03   0.08  -0.31    -0.06  -0.14   0.47
    11   1    -0.35   0.19  -0.26    -0.36   0.19  -0.26     0.31  -0.18   0.21
    12   1     0.04   0.39   0.03     0.04   0.39   0.03    -0.00   0.04  -0.01
    13   1    -0.03   0.08   0.33    -0.03   0.08   0.31    -0.06   0.14   0.48
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3107.4496              3124.3325              3134.2222
 Red. masses --      1.0978                 1.0925                 1.0893
 Frc consts  --      6.2455                 6.2834                 6.3044
 IR Inten    --      1.4913                 7.1933                30.4046
 RamAct Fr= 1--    153.5602               126.8170                31.6322
  Dep-P Fr= 1--      0.6001                 0.0559                 0.7500
  Dep-U Fr= 1--      0.7501                 0.1059                 0.8571
 Alpha2 Fr= 1--      0.4263                 2.4698                 0.0000
 Beta2  Fr= 1--     19.1970                 2.2392                 4.5189
 AlphaG Fr= 1--      0.0184                -4.0265                -0.0000
 Gamma2 Fr= 1--     48.2876               -10.0580                 3.0841
 Delta2 Fr= 1--     40.0084               -10.5019                 5.5302
 Raman1 Fr= 1--     614.241                507.268                126.529
 ROA1   Fr= 1--    5915.883              -1301.626                473.035
 CID1   Fr= 1--       9.631                 -2.566                  3.739
 Raman2 Fr= 1--     230.364                 26.871                 54.227
 ROA2   Fr= 1--     838.836               -157.377                 29.776
 CID2   Fr= 1--       3.641                 -5.857                  0.549
 Raman3 Fr= 1--     460.728                 53.742                108.453
 ROA3   Fr= 1--    5915.883              -1301.626                473.035
 CID3   Fr= 1--      12.840                -24.220                  4.362
 RC180  Fr= 1--       0.500                 -0.788                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.03    -0.01  -0.01   0.05     0.01   0.01  -0.05
     2   6     0.01  -0.01  -0.03     0.01  -0.01  -0.05     0.01  -0.01  -0.05
     3  16     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     4   6    -0.02   0.00  -0.05     0.01  -0.01   0.03    -0.01   0.00  -0.02
     5   6     0.02   0.00   0.05    -0.01  -0.01  -0.03    -0.01  -0.00  -0.02
     6   1     0.06   0.07  -0.34     0.11   0.13  -0.59    -0.11  -0.14   0.62
     7   1    -0.06   0.07   0.34    -0.11   0.13   0.59    -0.11   0.14   0.62
     8   1     0.28   0.16   0.20    -0.14  -0.08  -0.09     0.11   0.06   0.07
     9   1    -0.00  -0.03  -0.01    -0.01   0.07   0.00     0.00  -0.05  -0.00
    10   1    -0.05  -0.13   0.46     0.03   0.08  -0.28    -0.03  -0.06   0.23
    11   1    -0.28   0.16  -0.20     0.14  -0.08   0.09     0.11  -0.06   0.07
    12   1     0.00  -0.03   0.01     0.01   0.07  -0.00     0.00   0.05  -0.00
    13   1     0.05  -0.13  -0.45    -0.03   0.08   0.28    -0.03   0.06   0.23

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number 16 and mass  31.97207
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  1 and mass   1.00783
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Molecular mass:    88.03467 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   337.44898 512.27653 763.16157
           X            0.99997   0.00000  -0.00759
           Y           -0.00000   1.00000   0.00000
           Z            0.00759  -0.00000   0.99997
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.25667     0.16908     0.11349
 Rotational constants (GHZ):           5.34819     3.52298     2.36482
 Zero-point vibrational energy     291305.6 (Joules/Mol)
                                   69.62372 (Kcal/Mol)
 Warning -- explicit consideration of   8 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    300.89   323.38   341.25   429.65   483.47
          (Kelvin)            640.17   862.53   887.14  1208.13  1396.39
                             1433.33  1449.77  1555.74  1560.45  1606.39
                             1700.62  1739.77  1918.71  2034.71  2035.75
                             2060.70  2132.25  2139.41  2153.48  2153.62
                             4348.54  4350.21  4439.29  4440.27  4470.44
                             4470.93  4495.22  4509.45
 
 Zero-point correction=                           0.110952 (Hartree/Particle)
 Thermal correction to Energy=                    0.117081
 Thermal correction to Enthalpy=                  0.118025
 Thermal correction to Gibbs Free Energy=         0.081573
 Sum of electronic and zero-point Energies=           -555.419213
 Sum of electronic and thermal Energies=              -555.413084
 Sum of electronic and thermal Enthalpies=            -555.412140
 Sum of electronic and thermal Free Energies=         -555.448593
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   73.470             21.817             76.721
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.338
 Rotational               0.889              2.981             26.381
 Vibrational             71.692             15.855             11.002
 Vibration     1          0.642              1.827              2.051
 Vibration     2          0.649              1.803              1.920
 Vibration     3          0.656              1.784              1.824
 Vibration     4          0.692              1.676              1.425
 Vibration     5          0.717              1.604              1.231
 Vibration     6          0.804              1.372              0.811
 Vibration     7          0.958              1.033              0.451
 Vibration     8          0.976              0.997              0.422
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.301378D-37        -37.520889        -86.395039
 Total V=0       0.326326D+14         13.513652         31.116333
 Vib (Bot)       0.713948D-50        -50.146333       -115.466199
 Vib (Bot)    1  0.950067D+00         -0.022246         -0.051223
 Vib (Bot)    2  0.878280D+00         -0.056367         -0.129790
 Vib (Bot)    3  0.827774D+00         -0.082088         -0.189015
 Vib (Bot)    4  0.637333D+00         -0.195634         -0.450463
 Vib (Bot)    5  0.553970D+00         -0.256514         -0.590645
 Vib (Bot)    6  0.386994D+00         -0.412295         -0.949345
 Vib (Bot)    7  0.249211D+00         -0.603432         -1.389454
 Vib (Bot)    8  0.238026D+00         -0.623376         -1.435376
 Vib (V=0)       0.773049D+01          0.888207          2.045173
 Vib (V=0)    1  0.157360D+01          0.196896          0.453369
 Vib (V=0)    2  0.151063D+01          0.179158          0.412528
 Vib (V=0)    3  0.146706D+01          0.166449          0.383262
 Vib (V=0)    4  0.131006D+01          0.117290          0.270071
 Vib (V=0)    5  0.124625D+01          0.095604          0.220136
 Vib (V=0)    6  0.113227D+01          0.053950          0.124224
 Vib (V=0)    7  0.105866D+01          0.024758          0.057008
 Vib (V=0)    8  0.105377D+01          0.022744          0.052370
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.324664D+08          7.511435         17.295717
 Rotational      0.130020D+06          5.114010         11.775443
 
                                                          ROA calculations.
                                                             IR Spectrum
 
  333333 33                                                          1111111  1     11 111 1                                         
  111100 00                                                          4444444  3     21 100 099    8        65     4    32 222        
  320088 22                                                          9988311  3     08 188 097    4        19     4    39 320        
  447765 42                                                          7772254  4     92 651 861    0        79     5    69 759        
 
  XXXXXX XX                                                          XXXXXXX  X     XX XXX XXX    X        XX     X    XX X X        
  XX XXX XX                                                           XXXXX   X     X  XXX X X             XX                        
  XX XXX XX                                                           XXXXX   X        XXX X X              X                        
  XX XXX XX                                                           XXXXX            XXX X X              X                        
  X  XXX XX                                                           X XXX            X X                  X                        
  X  XXX XX                                                           X X              X X                  X                        
  X  XX  XX                                                                              X                  X                        
  X  XX  XX                                                                              X                  X                        
  X  XX  XX                                                                                                 X                        
  X  XX  XX                                                                                                 X                        
  X   X  XX                                                                                                 X                        
  X      XX                                                                                                 X                        
  X      XX                                                                                                 X                        
  X      XX                                                                                                 X                        
  X      XX                                                                                                 X                        
  X      XX                                                                                                 X                        
  X      XX                                                                                                                          
  X      XX                                                                                                                          
  X       X                                                                                                                          
          X                                                                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000007101   -0.000004127   -0.000000189
      2        6          -0.000004526   -0.000002047    0.000000634
      3       16          -0.000000268    0.000008362   -0.000000211
      4        6           0.000001636   -0.000004402    0.000000326
      5        6          -0.000004171   -0.000004117   -0.000000802
      6        1          -0.000006524   -0.000003578    0.000000299
      7        1           0.000005989   -0.000002536   -0.000000826
      8        1           0.000000115    0.000000567   -0.000000921
      9        1           0.000002865    0.000001575    0.000001191
     10        1          -0.000006435    0.000004558    0.000000667
     11        1           0.000000618   -0.000000444    0.000000910
     12        1          -0.000002603    0.000001032   -0.000000392
     13        1           0.000006205    0.000005158   -0.000000685
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000008362 RMS     0.000003468
 Force constants in Cartesian coordinates: 
                1             2             3             4             5 
      1  0.507128D+00
      2 -0.699959D-01  0.234919D+00
      3 -0.780328D-02 -0.771161D-01  0.591197D+00
      4 -0.178999D+00  0.251354D-01 -0.822112D-01  0.507131D+00
      5 -0.251380D-01 -0.288134D-01 -0.147645D-01  0.699970D-01  0.234918D+00
      6 -0.822106D-01  0.147631D-01 -0.135959D+00 -0.780737D-02  0.771188D-01
      7 -0.310167D-01  0.229458D-01 -0.330697D-02 -0.310158D-01 -0.229440D-01
      8  0.556407D-01 -0.883263D-01  0.445656D-01 -0.556389D-01 -0.883249D-01
      9 -0.347798D-02  0.255119D-01 -0.345022D-01 -0.347708D-02 -0.255103D-01
     10 -0.183308D+00  0.318016D-01  0.434309D-01 -0.244598D-01  0.683691D-02
     11  0.327649D-01 -0.696949D-01 -0.165241D-01 -0.108214D-01 -0.311854D-04
     12  0.460062D-01 -0.111509D-01 -0.104352D+00 -0.155177D-01  0.432117D-02
     13 -0.244605D-01 -0.683639D-02  0.726258D-02 -0.183311D+00 -0.318026D-01
     14  0.108218D-01 -0.309827D-04 -0.828842D-02 -0.327659D-01 -0.696945D-01
     15 -0.155160D-01 -0.432163D-02  0.867532D-02  0.460100D-01  0.111523D-01
     16 -0.594038D-01 -0.796202D-02  0.501976D-01  0.270167D-02  0.586583D-02
     17 -0.129933D-01 -0.448381D-01  0.628196D-01  0.289830D-02  0.105467D-02
     18  0.467990D-01  0.579185D-01 -0.303023D+00  0.234323D-02  0.343792D-02
     19  0.270202D-02 -0.586617D-02 -0.246335D-01 -0.594049D-01  0.796271D-02
     20 -0.289853D-02  0.105473D-02  0.120397D-01  0.129943D-01 -0.448394D-01
     21  0.234332D-02 -0.343821D-02 -0.169829D-01  0.468005D-01 -0.579211D-01
     22 -0.246091D-01 -0.103976D-01 -0.177935D-01 -0.281906D-02 -0.411484D-03
     23  0.995190D-02  0.268470D-02  0.731833D-02  0.301885D-02  0.129122D-02
     24  0.107669D-01  0.547593D-02  0.801006D-02  0.153880D-02 -0.608953D-03
     25 -0.371411D-02  0.289149D-01 -0.231285D-02  0.247534D-02  0.130598D-03
     26  0.236963D-02 -0.983551D-02  0.412472D-03  0.219946D-03  0.216868D-03
     27  0.921147D-03 -0.109929D-01  0.214174D-03 -0.474341D-03  0.328911D-03
     28 -0.563272D-02 -0.844987D-02  0.310287D-01  0.165850D-02 -0.428850D-03
     29  0.220286D-02  0.823515D-03 -0.107787D-01 -0.513509D-03  0.549665D-03
     30  0.222243D-02  0.336099D-02 -0.129711D-01 -0.111418D-02  0.290984D-03
     31 -0.281901D-02  0.412034D-03  0.465354D-02 -0.246101D-01  0.104005D-01
     32 -0.301944D-02  0.129126D-02  0.986291D-03 -0.995298D-02  0.268599D-02
     33  0.153806D-02  0.608875D-03 -0.108530D-02  0.107661D-01 -0.547780D-02
     34  0.247448D-02 -0.130573D-03 -0.441224D-03 -0.371577D-02 -0.289143D-01
     35 -0.220165D-03  0.216433D-03 -0.298618D-03 -0.236966D-02 -0.983530D-02
     36 -0.474420D-03 -0.328500D-03  0.126937D-03  0.921629D-03  0.109927D-01
     37  0.165860D-02  0.428824D-03  0.192925D-02 -0.563101D-02  0.844562D-02
     38  0.513483D-03  0.549801D-03 -0.371421D-03 -0.220132D-02  0.822280D-03
     39 -0.111479D-02 -0.291050D-03  0.651645D-03  0.222163D-02 -0.336011D-02
                6             7             8             9            10 
      6  0.591196D+00
      7 -0.330617D-02  0.703721D-01
      8 -0.445644D-01 -0.215505D-05  0.239744D+00
      9 -0.345023D-01  0.148183D-01 -0.100083D-05  0.577827D-01
     10  0.726191D-02 -0.157424D-02  0.458469D-02 -0.146569D-02  0.498590D+00
     11  0.828824D-02  0.278724D-01 -0.194160D-01 -0.404471D-02  0.280309D-01
     12  0.867543D-02 -0.207048D-02  0.130362D-02  0.107580D-02  0.283320D-01
     13  0.434324D-01 -0.157473D-02 -0.458539D-02 -0.146651D-02 -0.790515D-03
     14  0.165262D-01 -0.278724D-01 -0.194156D-01  0.404428D-02  0.217599D-02
     15 -0.104353D+00 -0.207219D-02 -0.130530D-02  0.107571D-02 -0.129508D-02
     16 -0.246332D-01 -0.725945D-03  0.136948D-02 -0.282880D-02 -0.375653D-02
     17 -0.120402D-01  0.313902D-02 -0.153615D-01  0.228326D-01  0.174170D-02
     18 -0.169827D-01 -0.180955D-02 -0.398509D-03  0.278197D-02  0.717661D-03
     19  0.501993D-01 -0.725890D-03 -0.136907D-02 -0.282861D-02  0.188848D-02
     20 -0.628228D-01 -0.313875D-02 -0.153613D-01 -0.228323D-01 -0.943069D-03
     21 -0.303021D+00 -0.180959D-02  0.398748D-03  0.278233D-02  0.179131D-02
     22  0.465330D-02  0.138649D-02  0.447809D-03  0.227117D-04 -0.188188D+00
     23 -0.986336D-03 -0.131942D-02  0.144416D-02 -0.582878D-04 -0.823091D-01
     24 -0.108503D-02 -0.714970D-03  0.247949D-03 -0.371974D-05 -0.104420D+00
     25 -0.441161D-03 -0.459669D-02  0.339249D-02  0.103706D-02 -0.482144D-01
     26  0.298675D-03  0.139226D-02  0.100389D-02 -0.121899D-02  0.168367D-01
     27  0.127338D-03  0.124197D-02 -0.131400D-02  0.734912D-03 -0.571356D-03
     28  0.192897D-02  0.134052D-02 -0.494798D-03 -0.696569D-03 -0.494728D-01
     29  0.371498D-03 -0.690092D-03  0.783086D-03 -0.970266D-03 -0.823536D-02
     30  0.651375D-03 -0.749373D-03 -0.397067D-03  0.102165D-02  0.260267D-01
     31 -0.177902D-01  0.138716D-02 -0.447583D-03  0.226450D-04 -0.706194D-03
     32 -0.731726D-02  0.131949D-02  0.144452D-02  0.583095D-04 -0.443131D-03
     33  0.800865D-02 -0.714808D-03 -0.247709D-03 -0.363972D-05  0.300704D-03
     34 -0.231779D-02 -0.459643D-02 -0.339211D-02  0.103706D-02  0.140687D-03
     35 -0.413941D-03 -0.139240D-02  0.100368D-02  0.121888D-02 -0.583676D-04
     36  0.215914D-03  0.124280D-02  0.131490D-02  0.735229D-03 -0.902581D-04
     37  0.310306D-01  0.134013D-02  0.494876D-03 -0.696562D-03 -0.149436D-03
     38  0.107784D-01  0.690245D-03  0.782722D-03  0.969880D-03 -0.193936D-04
     39 -0.129714D-01 -0.748978D-03  0.397196D-03  0.102153D-02 -0.189108D-04
               11            12            13            14            15 
     11  0.538752D+00
     12 -0.154444D-01  0.564689D+00
     13 -0.217594D-02 -0.129528D-02  0.498592D+00
     14  0.185370D-02  0.167575D-02 -0.280279D-01  0.538753D+00
     15 -0.167526D-02 -0.241652D-02  0.283270D-01  0.154428D-01  0.564690D+00
     16 -0.671844D-02  0.274105D-01  0.188848D-02 -0.642169D-03 -0.763660D-03
     17  0.442218D-02 -0.963699D-02  0.943222D-03  0.134438D-03  0.624770D-03
     18  0.190956D-02 -0.747647D-02  0.179148D-02 -0.480924D-03  0.960105D-03
     19  0.642253D-03 -0.763157D-03 -0.375573D-02  0.671760D-02  0.274108D-01
     20  0.134680D-03 -0.624870D-03 -0.174187D-02  0.442133D-02  0.963726D-02
     21  0.480810D-03  0.960243D-03  0.717656D-03 -0.190942D-02 -0.747675D-02
     22 -0.800493D-01 -0.103125D+00 -0.706116D-03  0.125018D-02 -0.105928D-02
     23 -0.918318D-01 -0.587778D-01  0.443020D-03 -0.476152D-03  0.401558D-03
     24 -0.583921D-01 -0.123701D+00  0.300739D-03  0.564901D-04  0.558185D-03
     25  0.179874D-01 -0.744450D-03  0.140709D-03 -0.149837D-03  0.119905D-03
     26 -0.297495D+00  0.177090D-01  0.584127D-04 -0.674156D-04  0.158858D-03
     27  0.170517D-01 -0.491096D-01 -0.902533D-04  0.713054D-04 -0.203475D-05
     28 -0.663599D-02  0.228386D-01 -0.149485D-03 -0.203752D-03 -0.131518D-03
     29 -0.660120D-01  0.710106D-01  0.194272D-04 -0.137844D-03 -0.175408D-03
     30  0.685200D-01 -0.289194D+00 -0.188517D-04  0.415430D-04  0.293706D-03
     31 -0.125016D-02 -0.105936D-02 -0.188187D+00  0.800773D-01 -0.103101D+00
     32 -0.476139D-03 -0.401666D-03  0.823380D-01 -0.918633D-01  0.587851D-01
     33 -0.565755D-04  0.558225D-03 -0.104395D+00  0.583990D-01 -0.123667D+00
     34  0.149732D-03  0.119915D-03 -0.482174D-01 -0.180067D-01 -0.748936D-03
     35 -0.674233D-04 -0.158793D-03 -0.168564D-01 -0.297487D+00 -0.177524D-01
     36 -0.713869D-04 -0.202239D-05 -0.575701D-03 -0.170957D-01 -0.491158D-01
     37  0.203759D-03 -0.131534D-03 -0.494682D-01  0.662568D-02  0.228204D-01
     38 -0.137831D-03  0.175330D-03  0.822429D-02 -0.659890D-01 -0.709726D-01
     39 -0.417187D-04  0.293827D-03  0.260095D-01 -0.684829D-01 -0.289222D+00
               16            17            18            19            20 
     16  0.651911D-01
     17  0.442489D-02  0.536232D-01
     18 -0.493356D-01 -0.628000D-01  0.322111D+00
     19 -0.245448D-02 -0.168133D-02 -0.163390D-02  0.651912D-01
     20  0.168121D-02  0.511160D-03  0.170869D-02 -0.442530D-02  0.536245D-01
     21 -0.163384D-02 -0.170868D-02 -0.541957D-03 -0.493372D-01  0.628025D-01
     22  0.816917D-03 -0.301250D-04  0.415967D-03  0.298922D-03 -0.145855D-03
     23 -0.609238D-03 -0.609790D-04  0.916784D-05 -0.111523D-03 -0.123461D-03
     24 -0.656550D-03  0.366365D-03  0.464870D-03  0.278306D-03  0.272591D-04
     25  0.923391D-03 -0.892536D-03  0.219905D-03 -0.168364D-03 -0.832223D-04
     26  0.306206D-03  0.388683D-03 -0.429213D-03  0.229877D-03 -0.516715D-04
     27 -0.522543D-03  0.381837D-03  0.000000D+00  0.556734D-04  0.179595D-03
     28 -0.493239D-02  0.204910D-02  0.132165D-02 -0.378984D-03 -0.172010D-03
     29  0.211351D-02  0.247424D-03 -0.756007D-03 -0.289129D-03  0.537347D-04
     30  0.191721D-02 -0.789776D-03  0.761614D-03  0.514681D-03 -0.157236D-03
     31  0.298944D-03  0.145805D-03  0.201579D-03  0.816520D-03  0.299464D-04
     32  0.111512D-03 -0.123419D-03  0.373547D-04  0.609253D-03 -0.610322D-04
     33  0.278323D-03 -0.272065D-04  0.384980D-03 -0.656543D-03 -0.366263D-03
     34 -0.168379D-03  0.832130D-04 -0.323098D-03  0.923723D-03  0.892469D-03
     35 -0.229763D-03 -0.515801D-04 -0.132475D-03 -0.306062D-03  0.389067D-03
     36  0.556852D-04 -0.179681D-03 -0.317433D-04 -0.522751D-03 -0.381680D-03
     37 -0.379000D-03  0.172023D-03 -0.708300D-03 -0.493246D-02 -0.204929D-02
     38  0.289002D-03  0.538281D-04 -0.241533D-04 -0.211312D-02  0.247634D-03
     39  0.514882D-03  0.157307D-03  0.590715D-03  0.191691D-02  0.790144D-03
               21            22            23            24            25 
     21  0.322110D+00
     22  0.201603D-03  0.208653D+00
     23 -0.373099D-04  0.868365D-01  0.964569D-01
     24  0.384894D-03  0.112597D+00  0.651053D-01  0.129816D+00
     25 -0.323263D-03  0.241014D-02 -0.238611D-01  0.292424D-02  0.515864D-01
     26  0.132632D-03  0.540979D-03 -0.129534D-01  0.117960D-02 -0.221077D-01
     27 -0.317682D-04  0.202390D-02 -0.175946D-01  0.105903D-02 -0.223973D-03
     28 -0.708200D-03  0.320269D-02  0.777134D-02 -0.227573D-01 -0.784062D-03
     29  0.241036D-04  0.220931D-02  0.346254D-02 -0.135178D-01 -0.330796D-02
     30  0.590520D-03  0.185447D-02  0.466721D-02 -0.154548D-01 -0.319195D-03
     31  0.416010D-03 -0.558638D-03  0.215173D-03  0.188018D-03  0.115750D-03
     32 -0.916454D-05 -0.215201D-03  0.921641D-04  0.572802D-04  0.150200D-04
     33  0.464531D-03  0.188023D-03 -0.572839D-04 -0.411391D-04  0.504475D-04
     34  0.219842D-03  0.115705D-03 -0.150075D-04  0.504541D-04 -0.163691D-03
     35  0.429268D-03 -0.417681D-04 -0.631076D-05  0.302028D-04 -0.895574D-04
     36  0.000000D+00 -0.334627D-04  0.255061D-04 -0.262478D-04  0.207208D-04
     37  0.132186D-02 -0.356600D-05 -0.113006D-04 -0.955199D-04 -0.104370D-04
     38  0.755800D-03  0.665258D-05  0.203677D-04 -0.275172D-04  0.515911D-04
     39  0.761589D-03  0.546983D-04 -0.153838D-04  0.193496D-04 -0.739099D-05
               26            27            28            29            30 
     26  0.326037D+00
     27 -0.185638D-01  0.469492D-01
     28  0.466988D-04 -0.236276D-02  0.550430D-01
     29 -0.736887D-02  0.305180D-01  0.651587D-02  0.675630D-01
     30  0.337514D-03  0.117808D-03 -0.301701D-01 -0.758350D-01  0.314249D+00
     31  0.417559D-04 -0.334528D-04 -0.358872D-05 -0.664136D-05  0.546965D-04
     32 -0.631063D-05 -0.254969D-04  0.113022D-04  0.203741D-04  0.153930D-04
     33 -0.302147D-04 -0.262527D-04 -0.955399D-04  0.275271D-04  0.193761D-04
     34  0.895708D-04  0.207130D-04 -0.104429D-04 -0.515912D-04 -0.740951D-05
     35  0.151131D-03  0.141070D-04  0.242540D-04 -0.193207D-04 -0.275896D-04
     36 -0.141000D-04  0.176577D-04  0.152535D-04  0.545179D-04 -0.503937D-04
     37 -0.242638D-04  0.152726D-04  0.119769D-03  0.333072D-04 -0.211134D-03
     38 -0.193239D-04 -0.544900D-04 -0.332932D-04  0.347119D-04 -0.269511D-04
     39  0.275940D-04 -0.504220D-04 -0.211154D-03  0.269791D-04 -0.339089D-04
               31            32            33            34            35 
     31  0.208653D+00
     32 -0.868670D-01  0.964924D-01
     33  0.112571D+00 -0.651130D-01  0.129778D+00
     34  0.241213D-02  0.238606D-01  0.292833D-02  0.515894D-01
     35 -0.542467D-03 -0.129582D-01 -0.118224D-02  0.221291D-01  0.326029D+00
     36  0.202494D-02  0.175904D-01  0.106170D-02 -0.219291D-03  0.186123D-01
     37  0.320060D-02 -0.776740D-02 -0.227588D-01 -0.784046D-03 -0.467802D-04
     38 -0.220872D-02  0.346164D-02  0.135228D-01  0.330563D-02 -0.736333D-02
     39  0.185251D-02 -0.466355D-02 -0.154522D-01 -0.318569D-03 -0.338776D-03
               36            37            38            39 
     36  0.469560D-01
     37 -0.236514D-02  0.550391D-01
     38 -0.305193D-01 -0.650505D-02  0.675365D-01
     39  0.112406D-03 -0.301504D-01  0.757942D-01  0.314279D+00
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.802291D+02 -0.109051D-04 -0.102656D+00
      2  -0.109051D-04  0.812799D+02  0.129977D-03
      3  -0.102656D+00  0.129977D-03  0.624276D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.234287D+01  0.345042D-03 -0.221843D+01
      2   0.710716D-04  0.323396D+01 -0.665492D-04
      3   0.575601D+01 -0.257991D-03 -0.182455D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.297079D-03 -0.357635D+02  0.214918D-03
      2  -0.874711D-03  0.230067D+02 -0.227202D-02
      3   0.117179D-02  0.127569D+02  0.205710D-02
      4  -0.392537D+02 -0.126428D-02 -0.797423D+01
      5   0.238294D-03 -0.498647D+01  0.120115D-02
      6  -0.598754D+01 -0.282402D-02 -0.447361D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    39 ND12= 1 LenFil=    1407:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.403329D+01 -0.133593D+01  0.214910D+01 -0.294571D+01  0.700251D+01
      2  -0.133593D+01  0.205566D+01 -0.110932D+01  0.700251D+01 -0.880209D+01
      3   0.214910D+01 -0.110932D+01  0.236373D+01 -0.205980D+00  0.112463D+01
                 6             7             8             9            10 
      1  -0.205980D+00  0.469234D+01 -0.972336D+00  0.157157D+01 -0.403361D+01
      2   0.112463D+01 -0.972336D+00 -0.587099D+00  0.269275D+01 -0.133594D+01
      3  -0.308260D+00  0.157157D+01  0.269275D+01 -0.699722D+01 -0.214918D+01
                11            12            13            14            15 
      1  -0.133594D+01 -0.214918D+01 -0.294600D+01 -0.700273D+01 -0.206141D+00
      2  -0.205569D+01 -0.110939D+01 -0.700273D+01 -0.880210D+01 -0.112490D+01
      3  -0.110939D+01 -0.236372D+01 -0.206141D+00 -0.112490D+01 -0.308260D+00
                16            17            18            19            20 
      1  -0.469241D+01 -0.972215D+00 -0.157150D+01  0.259059D-04  0.825088D+01
      2  -0.972215D+00  0.586879D+00  0.269272D+01  0.825088D+01 -0.538296D-04
      3  -0.157150D+01  0.269272D+01  0.699728D+01  0.453940D-04  0.166333D+01
                21            22            23            24            25 
      1   0.453940D-04  0.743701D+01  0.793747D-04  0.698728D+00  0.817128D-04
      2   0.166333D+01  0.793747D-04  0.226822D+02  0.112861D-03  0.338378D+01
      3  -0.517336D-04  0.698728D+00  0.112861D-03  0.507293D+01  0.999284D-05
                26            27            28            29            30 
      1   0.338378D+01  0.999284D-05 -0.259356D+01 -0.141048D+01 -0.330411D+01
      2   0.926812D-04  0.617287D+01 -0.141048D+01 -0.130050D+01 -0.395436D+00
      3   0.617287D+01  0.821242D-04 -0.330411D+01 -0.395436D+00 -0.133170D+01
                31            32            33            34            35 
      1  -0.131817D+00 -0.580147D+01 -0.606377D+00 -0.409996D+01 -0.379269D+00
      2  -0.580147D+01  0.101168D+02 -0.221718D+00 -0.379269D+00 -0.109261D+01
      3  -0.606377D+00 -0.221718D+00 -0.238130D+01 -0.233023D+01 -0.179556D+01
                36            37            38            39            40 
      1  -0.233023D+01  0.259442D+01 -0.141036D+01  0.330395D+01 -0.132240D+00
      2  -0.179556D+01 -0.141036D+01  0.130159D+01 -0.395521D+00  0.580243D+01
      3   0.458325D+01  0.330395D+01 -0.395521D+00  0.133091D+01 -0.606401D+00
                41            42            43            44            45 
      1   0.580243D+01 -0.606401D+00  0.410010D+01 -0.378611D+00  0.232935D+01
      2   0.101163D+02  0.223453D+00 -0.378611D+00  0.109491D+01 -0.179491D+01
      3   0.223453D+00 -0.238054D+01  0.232935D+01 -0.179491D+01 -0.458472D+01
                46            47            48            49            50 
      1   0.292860D+00 -0.999565D+00  0.100738D+01 -0.634130D+00  0.505334D-01
      2  -0.999565D+00 -0.187967D+00  0.199931D+00  0.505334D-01 -0.520971D+00
      3   0.100738D+01  0.199931D+00 -0.945319D+00 -0.185463D+00  0.135163D+01
                51            52            53            54            55 
      1  -0.185463D+00  0.152156D+01 -0.509541D+00  0.161592D+00 -0.292861D+00
      2   0.135163D+01 -0.509541D+00  0.311798D+01 -0.356088D+01 -0.999549D+00
      3  -0.142621D+01  0.161592D+00 -0.356088D+01  0.804297D+01 -0.100741D+01
                56            57            58            59            60 
      1  -0.999549D+00 -0.100741D+01 -0.634167D+00 -0.505534D-01 -0.185433D+00
      2   0.188007D+00  0.199958D+00 -0.505534D-01 -0.520998D+00 -0.135166D+01
      3   0.199958D+00  0.945382D+00 -0.185433D+00 -0.135166D+01 -0.142633D+01
                61            62            63            64            65 
      1  -0.152149D+01 -0.509554D+00 -0.161562D+00  0.806805D+01  0.640631D+00
      2  -0.509554D+00 -0.311803D+01 -0.356089D+01  0.640631D+00  0.100323D+01
      3  -0.161562D+00 -0.356089D+01 -0.804299D+01  0.260155D+01  0.402539D+00
                66            67            68            69            70 
      1   0.260155D+01  0.303017D+01  0.183112D+01  0.895861D+00  0.428415D+01
      2   0.402539D+00  0.183112D+01 -0.455435D-01  0.721318D+00  0.146839D+00
      3   0.190798D+01  0.895861D+00  0.721318D+00  0.110811D+01  0.256253D+01
                71            72            73            74            75 
      1   0.146839D+00  0.256253D+01  0.136155D+01 -0.143391D+01  0.468495D+00
      2   0.104560D+01  0.552138D+00 -0.143391D+01  0.768277D+00  0.344428D-02
      3   0.552138D+00  0.177793D+01  0.468495D+00  0.344428D-02  0.979808D-01
                76            77            78            79            80 
      1  -0.419447D+01  0.510519D+01  0.142022D+00  0.115802D+01 -0.407110D+00
      2   0.510519D+01 -0.116953D+02  0.168409D+00 -0.407110D+00  0.824499D+00
      3   0.142022D+00  0.168409D+00 -0.979111D+00  0.778179D+00 -0.126270D+01
                81            82            83            84            85 
      1   0.778179D+00  0.111378D+01  0.413779D+00 -0.770600D+00  0.115755D+01
      2  -0.126270D+01  0.413779D+00  0.267037D+00  0.671411D-01  0.626867D+00
      3   0.359383D-01 -0.770600D+00  0.671411D-01  0.885624D+00 -0.389381D+00
                86            87            88            89            90 
      1   0.626867D+00 -0.389381D+00 -0.222658D+01  0.429475D+00  0.215304D+01
      2  -0.393951D+00 -0.799249D+00  0.429475D+00 -0.120791D+01  0.287840D+00
      3  -0.799249D+00  0.145034D+01  0.215304D+01  0.287840D+00 -0.650175D+01
                91            92            93            94            95 
      1  -0.806839D+01  0.641075D+00 -0.260109D+01  0.303118D+01 -0.183155D+01
      2   0.641075D+00 -0.100359D+01  0.402712D+00 -0.183155D+01 -0.451124D-01
      3  -0.260109D+01  0.402712D+00 -0.190752D+01  0.896022D+00 -0.721516D+00
                96            97            98            99           100 
      1   0.896022D+00 -0.428337D+01  0.146959D+00 -0.256199D+01 -0.136212D+01
      2  -0.721516D+00  0.146959D+00 -0.104575D+01  0.552214D+00 -0.143432D+01
      3   0.110819D+01 -0.256199D+01  0.552214D+00 -0.177707D+01 -0.468655D+00
               101           102           103           104           105 
      1  -0.143432D+01 -0.468655D+00 -0.419453D+01 -0.510558D+01  0.141645D+00
      2  -0.768995D+00  0.332599D-02 -0.510558D+01 -0.116950D+02 -0.169548D+00
      3   0.332599D-02 -0.980204D-01  0.141645D+00 -0.169548D+00 -0.979202D+00
               106           107           108           109           110 
      1  -0.115891D+01 -0.408007D+00 -0.778154D+00 -0.111343D+01  0.413685D+00
      2  -0.408007D+00 -0.826215D+00 -0.126279D+01  0.413685D+00 -0.266985D+00
      3  -0.778154D+00 -0.126279D+01 -0.363335D-01  0.770515D+00  0.672887D-01
               111           112           113           114           115 
      1   0.770515D+00  0.115716D+01 -0.626837D+00 -0.389103D+00  0.222647D+01
      2   0.672887D-01 -0.626837D+00 -0.394210D+00  0.799033D+00  0.429586D+00
      3  -0.885285D+00 -0.389103D+00  0.799033D+00  0.144964D+01 -0.215283D+01
               116           117 
      1   0.429586D+00 -0.215283D+01
      2   0.120765D+01  0.287193D+00
      3   0.287193D+00  0.650264D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.118931D+01  0.383194D+01 -0.774280D+00 -0.570129D+00 -0.991507D+01
      2   0.221134D+01 -0.257662D+01  0.284187D+01  0.184290D+01 -0.319772D+01
      3   0.193647D+01 -0.781454D+01  0.243038D+01  0.684408D+00 -0.632197D+00
                 6             7             8             9            10 
      1   0.247229D+01 -0.535730D+01  0.866306D+01 -0.219063D+01  0.118894D+01
      2   0.293532D+01 -0.819486D+01  0.938944D+01 -0.637209D+01  0.221081D+01
      3   0.137437D+01  0.776796D+00  0.708212D-01 -0.283134D+01 -0.193548D+01
                11            12            13            14            15 
      1   0.383173D+01  0.774504D+00 -0.570522D+00  0.991444D+01  0.247235D+01
      2   0.257679D+01  0.284218D+01 -0.184266D+01 -0.319724D+01 -0.293526D+01
      3  -0.781459D+01 -0.243023D+01  0.685324D+00  0.633055D+00  0.137417D+01
                16            17            18            19            20 
      1   0.535747D+01  0.866298D+01  0.219081D+01  0.258142D-03 -0.888614D+01
      2  -0.819520D+01 -0.938923D+01 -0.637265D+01  0.471089D+01  0.110288D-03
      3  -0.776779D+00  0.704915D-01  0.283097D+01 -0.203511D-03 -0.114863D+02
                21            22            23            24            25 
      1  -0.100350D-03 -0.401367D+01  0.326959D-04 -0.161693D+02 -0.279734D-04
      2   0.759062D+01 -0.476836D-04  0.552449D+01  0.000000D+00 -0.102413D+02
      3  -0.158959D-03  0.187704D+02 -0.574071D-03  0.282635D+00 -0.364804D-03
                26            27            28            29            30 
      1   0.748628D+01  0.657999D-04 -0.163322D+01 -0.628869D+00 -0.221517D+01
      2  -0.669205D-04  0.452170D+00 -0.102045D+02 -0.225360D+00 -0.253495D+01
      3   0.398477D+01  0.469651D-04  0.104188D+02  0.173714D+01  0.387869D+01
                31            32            33            34            35 
      1  -0.532957D+00 -0.733856D+00 -0.350246D+01 -0.354782D+01  0.767756D+00
      2  -0.413236D+01  0.143379D+01 -0.646432D+01 -0.998864D+01 -0.284007D+01
      3   0.181217D+02 -0.197469D+02  0.165469D+01  0.426607D+01  0.188178D+01
                36            37            38            39            40 
      1   0.612257D+01  0.163286D+01 -0.628662D+00  0.221393D+01 -0.532123D+00
      2   0.992616D+01 -0.102029D+02  0.226015D+00 -0.253281D+01  0.413160D+01
      3   0.797026D+01 -0.104208D+02  0.173924D+01 -0.387943D+01  0.181248D+02
                41            42            43            44            45 
      1   0.736101D+00 -0.350106D+01  0.354612D+01  0.768440D+00 -0.612358D+01
      2   0.142889D+01  0.646271D+01 -0.998571D+01  0.283889D+01  0.993022D+01
      3   0.197447D+02  0.165962D+01 -0.426547D+01  0.188644D+01 -0.796728D+01
                46            47            48            49            50 
      1  -0.696120D+00  0.468060D+00 -0.367077D+00  0.721617D+00 -0.163949D-01
      2   0.182317D+01  0.139989D+01 -0.975583D-01  0.205832D+01  0.124612D+01
      3   0.484614D+00  0.129881D+00 -0.619829D+00  0.211943D+01  0.168933D+01
                51            52            53            54            55 
      1  -0.275283D+01 -0.126545D+01  0.278307D+01  0.289538D+01  0.696078D+00
      2  -0.260619D+01 -0.281879D+01 -0.420848D+01  0.751809D+01  0.182326D+01
      3  -0.182485D+01 -0.142770D+01 -0.250473D+01  0.284377D+01 -0.484619D+00
                56            57            58            59            60 
      1   0.468103D+00  0.367222D+00  0.721686D+00  0.165335D-01 -0.275285D+01
      2  -0.139988D+01 -0.976398D-01 -0.205836D+01  0.124614D+01  0.260633D+01
      3   0.130024D+00  0.619942D+00  0.211954D+01 -0.168937D+01 -0.182491D+01
                61            62            63            64            65 
      1   0.126544D+01  0.278303D+01 -0.289540D+01  0.210692D+01  0.740397D+00
      2  -0.281867D+01  0.420848D+01  0.751800D+01  0.523201D+01  0.100376D+01
      3   0.142763D+01 -0.250490D+01 -0.284375D+01 -0.105466D+02 -0.558765D+01
                66            67            68            69            70 
      1   0.133761D+01  0.100071D+01  0.495936D+00  0.219507D-01  0.118568D+01
      2   0.691242D+01  0.209685D+01  0.125263D+01  0.362399D+01  0.396726D+01
      3  -0.386247D+01 -0.534529D+01 -0.236800D+01 -0.264836D+01 -0.513248D+01
                71            72            73            74            75 
      1   0.185071D+01  0.866475D+00 -0.275325D+00 -0.922838D-01  0.991683D+00
      2   0.148560D+01  0.454192D+01  0.395768D+00 -0.100594D+00  0.169508D+01
      3  -0.340306D+01 -0.386854D+01  0.118230D+00 -0.189978D+01 -0.240432D+00
                76            77            78            79            80 
      1   0.885993D+00  0.375511D+00 -0.452574D+01  0.123847D+01 -0.770126D+00
      2   0.213623D+01 -0.165398D+01 -0.338427D+01  0.858293D+00 -0.211340D+01
      3  -0.430814D+01  0.234656D+02 -0.743829D+00 -0.412633D+00 -0.122158D+01
                81            82            83            84            85 
      1  -0.630452D+00 -0.912783D+00  0.123704D+00  0.114402D+01  0.527693D+00
      2  -0.635977D+00 -0.183921D+01  0.465329D+00  0.299485D+01  0.106733D+01
      3   0.100535D+01 -0.139650D+01 -0.114247D+01  0.964882D+00 -0.599340D+00
                86            87            88            89            90 
      1  -0.165150D+01  0.764155D+00  0.220729D+01  0.328317D+01 -0.694957D+01
      2  -0.184304D+01  0.335874D+01  0.123920D+01  0.134023D+01 -0.151785D+02
      3  -0.750189D+00  0.202105D+01  0.181715D+01  0.318445D+01 -0.415236D+01
                91            92            93            94            95 
      1  -0.210603D+01  0.740420D+00 -0.133695D+01  0.100058D+01 -0.496018D+00
      2   0.523076D+01 -0.100430D+01  0.691128D+01 -0.209708D+01  0.125312D+01
      3   0.105485D+02 -0.558874D+01  0.386247D+01 -0.534764D+01  0.236970D+01
                96            97            98            99           100 
      1   0.217175D-01 -0.118494D+01  0.185055D+01 -0.865699D+00  0.275275D+00
      2  -0.362446D+01  0.396607D+01 -0.148567D+01  0.453951D+01  0.395852D+00
      3  -0.264931D+01  0.513242D+01 -0.340322D+01  0.386806D+01 -0.118242D+00
               101           102           103           104           105 
      1  -0.923705D-01 -0.991843D+00  0.885396D+00 -0.376454D+00 -0.452595D+01
      2   0.100676D+00  0.169513D+01 -0.213557D+01 -0.165103D+01  0.338449D+01
      3  -0.190126D+01  0.240362D+00 -0.430919D+01 -0.234644D+02 -0.746317D+00
               106           107           108           109           110 
      1  -0.123816D+01 -0.770277D+00  0.629600D+00  0.912451D+00  0.123970D+00
      2   0.857457D+00  0.211310D+01 -0.635009D+00 -0.183928D+01 -0.465747D+00
      3   0.412187D+00 -0.122475D+01 -0.100568D+01  0.139580D+01 -0.114236D+01
               111           112           113           114           115 
      1  -0.114356D+01  0.527782D+00  0.165068D+01  0.763324D+00 -0.220678D+01
      2   0.299393D+01 -0.106716D+01 -0.184216D+01 -0.335707D+01  0.123829D+01
      3  -0.964242D+00 -0.599355D+00  0.749264D+00  0.201987D+01 -0.181682D+01
               116           117 
      1   0.328281D+01  0.695050D+01
      2  -0.133883D+01 -0.151807D+02
      3   0.318350D+01  0.415050D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.545130D+00 -0.560474D+01  0.366285D+01  0.285482D+00  0.998846D+01
      2  -0.155289D+01  0.881199D+01 -0.597200D+01  0.308698D+01 -0.453606D+01
      3   0.209802D+01 -0.320725D+01  0.230915D+01 -0.337246D+01 -0.545240D+01
      4  -0.191793D+01 -0.248853D+00 -0.171512D+01 -0.145452D+01 -0.149540D+01
      5   0.568011D+01 -0.188276D+01 -0.803650D+00 -0.292858D+00 -0.358051D+01
      6  -0.180846D+01 -0.254963D+01  0.368003D+01  0.252468D+00  0.516335D+01
                 6             7             8             9            10 
      1  -0.654011D+01  0.167133D+01 -0.495805D+01  0.848598D+01 -0.542970D+00
      2   0.495374D+01 -0.219506D+01  0.239982D+01 -0.329199D+00 -0.155489D+01
      3   0.158638D+01  0.523728D+00  0.255822D+01 -0.815678D+01  0.209786D+01
      4   0.506597D+00 -0.299961D+00 -0.132245D+01 -0.294818D+01  0.191778D+01
      5   0.867946D+01  0.589861D+01  0.617615D+00 -0.751711D+01  0.567986D+01
      6  -0.113835D+02 -0.226936D+01 -0.839723D+00  0.719649D+01  0.180875D+01
                11            12            13            14            15 
      1   0.560578D+01  0.366331D+01 -0.284625D+00  0.999093D+01  0.654049D+01
      2  -0.881234D+01 -0.597264D+01 -0.308722D+01 -0.453773D+01 -0.495378D+01
      3   0.320656D+01  0.230933D+01  0.337185D+01 -0.545320D+01 -0.158671D+01
      4  -0.248495D+00  0.171490D+01 -0.145430D+01  0.149578D+01  0.507336D+00
      5   0.188365D+01 -0.803204D+00  0.293741D+00 -0.357842D+01 -0.867907D+01
      6  -0.254931D+01 -0.368010D+01  0.253180D+00 -0.516300D+01 -0.113839D+02
                16            17            18            19            20 
      1   0.167126D+01  0.495755D+01  0.848492D+01  0.768193D+01 -0.273020D-03
      2  -0.219499D+01 -0.239933D+01 -0.328626D+00  0.546974D+01  0.142650D-03
      3   0.523734D+00 -0.255823D+01 -0.815629D+01 -0.131517D+02  0.130369D-03
      4   0.300014D+00 -0.132201D+01  0.294887D+01  0.703255D-04  0.364413D+02
      5   0.589724D+01 -0.617286D+00 -0.751775D+01 -0.228984D+01 -0.226742D-03
      6   0.226966D+01 -0.839633D+00 -0.719716D+01 -0.142915D-03  0.977281D+01
                21            22            23            24            25 
      1  -0.733635D+01 -0.564412D-03 -0.529182D+02 -0.347991D-03 -0.186726D+01
      2   0.889854D+01  0.378927D-03  0.785931D+02  0.405686D-03  0.735636D+01
      3  -0.156219D+01  0.185484D-03 -0.256749D+02 -0.576953D-04 -0.548910D+01
      4   0.601220D-04  0.267306D+02  0.228262D-04  0.367135D+00 -0.978603D-04
      5   0.185985D+02 -0.508175D-03  0.562391D+01 -0.590113D-04  0.148798D+02
      6   0.132572D-05  0.260833D+01 -0.909336D-04  0.349232D+02 -0.980794D-04
                26            27            28            29            30 
      1  -0.255223D-03 -0.224686D+02 -0.125190D+02 -0.123215D+02 -0.165116D+02
      2   0.287796D-03  0.638488D+00  0.100072D+02  0.103461D+02  0.979152D+01
      3  -0.325724D-04  0.218301D+02  0.251185D+01  0.197540D+01  0.672009D+01
      4   0.398281D+01 -0.201157D-03 -0.106170D+02 -0.224433D+01 -0.642717D-01
      5  -0.378027D-03 -0.223341D+01 -0.203031D+02 -0.167525D+01 -0.863490D+01
      6   0.341154D+02 -0.435820D-04  0.335063D+01 -0.322362D+00  0.221802D+01
                31            32            33            34            35 
      1  -0.177135D+02  0.412630D+01 -0.604622D+01 -0.200726D+02 -0.189663D+01
      2   0.192852D+02 -0.217500D+02  0.267602D+01  0.908499D+01  0.139580D+01
      3  -0.157170D+01  0.176237D+02  0.337019D+01  0.109876D+02  0.500827D+00
      4  -0.141945D+02  0.336576D+02 -0.232723D+01  0.709919D+00 -0.373112D+01
      5  -0.286870D+01 -0.294238D+01 -0.117275D+02 -0.124067D+02 -0.759137D+01
      6  -0.299202D+00  0.183768D+01  0.284618D+01  0.167553D+01  0.398822D+01
                36            37            38            39            40 
      1  -0.896876D+01 -0.125230D+02  0.123234D+02 -0.165107D+02  0.177171D+02
      2   0.138578D+02  0.100090D+02 -0.103489D+02  0.979129D+01 -0.192881D+02
      3  -0.488908D+01  0.251397D+01 -0.197443D+01  0.671943D+01  0.157103D+01
      4  -0.658505D+01  0.106190D+02 -0.224817D+01  0.660169D-01 -0.141996D+02
      5   0.181470D+02 -0.203012D+02  0.167563D+01 -0.863040D+01  0.286868D+01
      6  -0.686664D+01 -0.335014D+01 -0.322768D+00 -0.221695D+01 -0.302302D+00
                41            42            43            44            45 
      1   0.411946D+01  0.604998D+01 -0.200709D+02  0.189942D+01 -0.896133D+01
      2  -0.217458D+02 -0.268195D+01  0.908272D+01 -0.140248D+01  0.138537D+02
      3   0.176263D+02 -0.336803D+01  0.109882D+02 -0.496944D+00 -0.489239D+01
      4  -0.336578D+02 -0.233450D+01 -0.709849D+00 -0.373882D+01  0.658234D+01
      5  -0.295099D+01  0.117233D+02 -0.124006D+02  0.758818D+01  0.181537D+02
      6  -0.184429D+01  0.284528D+01 -0.167526D+01  0.398698D+01  0.687043D+01
                46            47            48            49            50 
      1   0.115774D+01 -0.166782D+01  0.295825D+01 -0.113357D+01 -0.695125D+01
      2  -0.301178D+01  0.421630D+00 -0.368326D+00  0.117694D+01  0.206920D+01
      3   0.185404D+01  0.124619D+01 -0.258992D+01 -0.433718D-01  0.488205D+01
      4  -0.548261D+00  0.342175D+01 -0.225446D+01  0.312747D+01 -0.386925D+00
      5   0.302873D-02 -0.201507D+01  0.557336D+01 -0.168108D+01  0.218704D+01
      6  -0.195738D+01 -0.219172D+01  0.106751D+01 -0.562397D+00 -0.644344D+01
                51            52            53            54            55 
      1   0.522044D+01  0.210390D+01  0.598714D+01 -0.179917D+02  0.115797D+01
      2  -0.840324D+00 -0.196032D+01  0.354112D+01 -0.104993D+02 -0.301174D+01
      3  -0.438012D+01 -0.143573D+00 -0.952826D+01  0.284909D+02  0.185376D+01
      4   0.374423D+00 -0.315991D+01  0.117857D+01  0.470820D+00  0.548215D+00
      5  -0.273901D+01  0.304484D+01 -0.352391D+01  0.869301D+01  0.320921D-02
      6   0.120526D+02 -0.293472D+00  0.906740D+01 -0.157409D+02  0.195747D+01
                56            57            58            59            60 
      1   0.166796D+01  0.295842D+01  0.113368D+01 -0.695137D+01 -0.522062D+01
      2  -0.421766D+00 -0.368292D+00 -0.117736D+01  0.206901D+01  0.840356D+00
      3  -0.124620D+01 -0.259013D+01  0.436770D-01  0.488236D+01  0.438026D+01
      4   0.342174D+01  0.225457D+01  0.312727D+01  0.386701D+00  0.374317D+00
      5   0.201512D+01  0.557319D+01  0.168071D+01  0.218682D+01  0.273923D+01
      6  -0.219181D+01 -0.106768D+01 -0.562445D+00  0.644360D+01  0.120528D+02
                61            62            63            64            65 
      1   0.210374D+01 -0.598701D+01 -0.179914D+02  0.491235D+02  0.690999D+01
      2  -0.196006D+01 -0.354121D+01 -0.104994D+02 -0.295738D+02 -0.568287D+01
      3  -0.143672D+00  0.952822D+01  0.284908D+02 -0.195497D+02 -0.122712D+01
      4   0.316002D+01  0.117868D+01 -0.471045D+00  0.141118D+01  0.730393D+01
      5   0.304497D+01  0.352381D+01  0.869276D+01  0.181256D+02  0.241267D+01
      6   0.293303D+00  0.906747D+01  0.157413D+02 -0.185677D+01  0.133576D+00
                66            67            68            69            70 
      1   0.150415D+02  0.174072D+02  0.541216D+01  0.477526D+01  0.206737D+02
      2  -0.975592D+01 -0.114308D+02 -0.924636D+00 -0.367211D+01 -0.142485D+02
      3  -0.528556D+01 -0.597634D+01 -0.448752D+01 -0.110315D+01 -0.642518D+01
      4   0.108151D+01  0.103605D+02  0.244288D+01  0.419709D+01 -0.199605D+00
      5   0.139388D+02  0.613147D+01  0.408273D+01  0.673331D+01  0.173225D+02
      6  -0.252307D+01  0.717524D+00  0.870785D+00  0.844025D+00 -0.152825D+01
                71            72            73            74            75 
      1   0.165124D+01  0.102999D+02  0.639751D+01 -0.525490D+01  0.207107D+01
      2  -0.223920D+01 -0.108707D+02  0.616820D+00 -0.583526D+00 -0.114575D+01
      3   0.587959D+00  0.570811D+00 -0.701432D+01  0.583842D+01 -0.925313D+00
      4   0.505078D+01  0.212796D+01 -0.923154D+01  0.122942D+02  0.179372D+00
      5   0.289709D+01  0.121092D+02  0.179733D+01  0.288536D+00  0.277099D+01
      6   0.125252D+01 -0.656105D+00 -0.672469D-01 -0.220474D+00 -0.111413D+01
                76            77            78            79            80 
      1  -0.641700D+01 -0.125739D+02  0.123876D+01  0.361165D+01  0.105538D+00
      2  -0.741331D+01  0.391003D+02 -0.164408D+01 -0.185197D+01 -0.902091D+00
      3   0.138303D+02 -0.265264D+02  0.405325D+00 -0.175968D+01  0.796553D+00
      4   0.257815D+02 -0.486509D+02  0.815353D+00 -0.114220D+01  0.224024D+01
      5   0.879794D+00  0.827183D+00 -0.569892D+01  0.509296D+01 -0.551513D+01
      6  -0.509621D+00  0.371530D+00  0.728363D+01 -0.347349D+01  0.781966D+01
                81            82            83            84            85 
      1  -0.653472D+00  0.603009D+01  0.180495D+01 -0.362244D+01  0.557540D+01
      2   0.181830D+01 -0.596307D+01 -0.147792D+01  0.303554D+01 -0.459757D+01
      3  -0.116483D+01 -0.670230D-01 -0.327035D+00  0.586901D+00 -0.977831D+00
      4  -0.461233D+01  0.129575D+01  0.189253D+01  0.831238D-01  0.312905D+01
      5  -0.363694D+00 -0.420923D+01 -0.528151D+00  0.906970D+01 -0.210445D+01
      6  -0.241769D+00  0.299986D+00  0.264286D+00 -0.122137D+01 -0.954437D+00
                86            87            88            89            90 
      1  -0.636779D+00 -0.582021D-01 -0.702035D+01 -0.124966D+00 -0.746850D+00
      2   0.932096D+00  0.286424D+01  0.752708D+01  0.231341D+01 -0.151054D+02
      3  -0.295317D+00 -0.280604D+01 -0.506724D+00 -0.218845D+01  0.158523D+02
      4  -0.635993D+00 -0.380129D+01  0.266074D+01 -0.540746D+01  0.245136D+01
      5  -0.338655D+01  0.675077D+01  0.137226D+02  0.210829D+01 -0.300030D+02
      6  -0.425372D+00  0.210942D+01 -0.236567D+01  0.229409D+01  0.837953D+01
                91            92            93            94            95 
      1   0.491257D+02 -0.691352D+01  0.150390D+02 -0.174129D+02  0.541467D+01
      2  -0.295750D+02  0.568510D+01 -0.975437D+01  0.114342D+02 -0.925870D+00
      3  -0.195507D+02  0.122841D+01 -0.528466D+01  0.597872D+01 -0.448880D+01
      4  -0.141594D+01  0.730492D+01 -0.108303D+01  0.103626D+02 -0.244549D+01
      5   0.181216D+02 -0.241372D+01  0.139359D+02 -0.613209D+01  0.408353D+01
      6   0.185554D+01  0.133170D+00  0.252209D+01  0.717512D+00 -0.870377D+00
                96            97            98            99           100 
      1  -0.477641D+01  0.206702D+02 -0.165209D+01  0.102976D+02  0.639971D+01
      2   0.367303D+01 -0.142457D+02  0.224021D+01 -0.108683D+02  0.616155D+00
      3   0.110338D+01 -0.642443D+01 -0.588123D+00  0.570761D+00 -0.701586D+01
      4   0.419783D+01  0.197738D+00  0.505070D+01 -0.212909D+01  0.923385D+01
      5  -0.673398D+01  0.173188D+02 -0.289774D+01  0.121040D+02  0.179834D+01
      6   0.843729D+00  0.152680D+01  0.125235D+01  0.654247D+00  0.683357D-01
               101           102           103           104           105 
      1   0.525511D+01  0.207174D+01  0.641717D+01 -0.125701D+02 -0.124052D+01
      2   0.584911D+00 -0.114574D+01  0.741419D+01  0.390972D+02  0.164735D+01
      3  -0.584002D+01 -0.925995D+00 -0.138314D+02 -0.265272D+02 -0.406829D+00
      4   0.122969D+02 -0.178069D+00  0.257840D+02  0.486518D+02  0.820187D+00
      5  -0.287223D+00  0.277101D+01 -0.877404D+00  0.832624D+00  0.569966D+01
      6  -0.219933D+00  0.111453D+01 -0.507094D+00 -0.365293D+00  0.728364D+01
               106           107           108           109           110 
      1   0.361319D+01 -0.106796D+00 -0.653921D+00  0.602806D+01 -0.180443D+01
      2  -0.185211D+01  0.905502D+00  0.181861D+01 -0.596181D+01  0.147747D+01
      3  -0.176108D+01 -0.798706D+00 -0.116469D+01 -0.662509D-01  0.326951D+00
      4   0.114569D+01  0.224679D+01  0.461313D+01 -0.129518D+01  0.189246D+01
      5   0.509270D+01  0.551594D+01 -0.361737D+00 -0.420828D+01  0.526926D+00
      6   0.347384D+01  0.781979D+01  0.244313D+00 -0.300589D+00  0.264160D+00
               111           112           113           114           115 
      1  -0.362191D+01 -0.557382D+01 -0.636974D+00  0.574151D-01 -0.701935D+01
      2   0.303460D+01  0.459654D+01  0.932387D+00 -0.286272D+01  0.752605D+01
      3   0.587309D+00  0.977283D+00 -0.295413D+00  0.280531D+01 -0.506707D+00
      4  -0.844644D-01  0.312903D+01  0.637824D+00 -0.379991D+01 -0.266251D+01
      5   0.906834D+01  0.210269D+01 -0.338500D+01 -0.674724D+01  0.137212D+02
      6   0.122111D+01 -0.954177D+00  0.425051D+00  0.211054D+01  0.236645D+01
               116           117 
      1   0.124813D+00 -0.750768D+00
      2  -0.231194D+01 -0.151044D+02
      3   0.218713D+01  0.158552D+02
      4  -0.540671D+01 -0.244859D+01
      5  -0.210511D+01 -0.300058D+02
      6   0.229540D+01 -0.838351D+01
 Leave Link  716 at Thu Jul 22 18:16:14 2021, MaxMem=  5637144576 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.802291D+02 -0.109051D-04 -0.102656D+00
      2  -0.109051D-04  0.812799D+02  0.129977D-03
      3  -0.102656D+00  0.129977D-03  0.624276D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.234287D+01  0.345042D-03 -0.221843D+01
      2   0.710716D-04  0.323396D+01 -0.665492D-04
      3   0.575601D+01 -0.257991D-03 -0.182455D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.297079D-03 -0.357635D+02  0.214918D-03
      2  -0.874711D-03  0.230067D+02 -0.227202D-02
      3   0.117179D-02  0.127569D+02  0.205710D-02
      4  -0.392537D+02 -0.126428D-02 -0.797423D+01
      5   0.238294D-03 -0.498647D+01  0.120115D-02
      6  -0.598754D+01 -0.282402D-02 -0.447361D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    39 ND12= 1 LenFil=    1407:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.403329D+01 -0.133593D+01  0.214910D+01 -0.294571D+01  0.700251D+01
      2  -0.133593D+01  0.205566D+01 -0.110932D+01  0.700251D+01 -0.880209D+01
      3   0.214910D+01 -0.110932D+01  0.236373D+01 -0.205980D+00  0.112463D+01
                 6             7             8             9            10 
      1  -0.205980D+00  0.469234D+01 -0.972336D+00  0.157157D+01 -0.403361D+01
      2   0.112463D+01 -0.972336D+00 -0.587099D+00  0.269275D+01 -0.133594D+01
      3  -0.308260D+00  0.157157D+01  0.269275D+01 -0.699722D+01 -0.214918D+01
                11            12            13            14            15 
      1  -0.133594D+01 -0.214918D+01 -0.294600D+01 -0.700273D+01 -0.206141D+00
      2  -0.205569D+01 -0.110939D+01 -0.700273D+01 -0.880210D+01 -0.112490D+01
      3  -0.110939D+01 -0.236372D+01 -0.206141D+00 -0.112490D+01 -0.308260D+00
                16            17            18            19            20 
      1  -0.469241D+01 -0.972215D+00 -0.157150D+01  0.259059D-04  0.825088D+01
      2  -0.972215D+00  0.586879D+00  0.269272D+01  0.825088D+01 -0.538296D-04
      3  -0.157150D+01  0.269272D+01  0.699728D+01  0.453940D-04  0.166333D+01
                21            22            23            24            25 
      1   0.453940D-04  0.743701D+01  0.793747D-04  0.698728D+00  0.817128D-04
      2   0.166333D+01  0.793747D-04  0.226822D+02  0.112861D-03  0.338378D+01
      3  -0.517336D-04  0.698728D+00  0.112861D-03  0.507293D+01  0.999284D-05
                26            27            28            29            30 
      1   0.338378D+01  0.999284D-05 -0.259356D+01 -0.141048D+01 -0.330411D+01
      2   0.926812D-04  0.617287D+01 -0.141048D+01 -0.130050D+01 -0.395436D+00
      3   0.617287D+01  0.821242D-04 -0.330411D+01 -0.395436D+00 -0.133170D+01
                31            32            33            34            35 
      1  -0.131817D+00 -0.580147D+01 -0.606377D+00 -0.409996D+01 -0.379269D+00
      2  -0.580147D+01  0.101168D+02 -0.221718D+00 -0.379269D+00 -0.109261D+01
      3  -0.606377D+00 -0.221718D+00 -0.238130D+01 -0.233023D+01 -0.179556D+01
                36            37            38            39            40 
      1  -0.233023D+01  0.259442D+01 -0.141036D+01  0.330395D+01 -0.132240D+00
      2  -0.179556D+01 -0.141036D+01  0.130159D+01 -0.395521D+00  0.580243D+01
      3   0.458325D+01  0.330395D+01 -0.395521D+00  0.133091D+01 -0.606401D+00
                41            42            43            44            45 
      1   0.580243D+01 -0.606401D+00  0.410010D+01 -0.378611D+00  0.232935D+01
      2   0.101163D+02  0.223453D+00 -0.378611D+00  0.109491D+01 -0.179491D+01
      3   0.223453D+00 -0.238054D+01  0.232935D+01 -0.179491D+01 -0.458472D+01
                46            47            48            49            50 
      1   0.292860D+00 -0.999565D+00  0.100738D+01 -0.634130D+00  0.505334D-01
      2  -0.999565D+00 -0.187967D+00  0.199931D+00  0.505334D-01 -0.520971D+00
      3   0.100738D+01  0.199931D+00 -0.945319D+00 -0.185463D+00  0.135163D+01
                51            52            53            54            55 
      1  -0.185463D+00  0.152156D+01 -0.509541D+00  0.161592D+00 -0.292861D+00
      2   0.135163D+01 -0.509541D+00  0.311798D+01 -0.356088D+01 -0.999549D+00
      3  -0.142621D+01  0.161592D+00 -0.356088D+01  0.804297D+01 -0.100741D+01
                56            57            58            59            60 
      1  -0.999549D+00 -0.100741D+01 -0.634167D+00 -0.505534D-01 -0.185433D+00
      2   0.188007D+00  0.199958D+00 -0.505534D-01 -0.520998D+00 -0.135166D+01
      3   0.199958D+00  0.945382D+00 -0.185433D+00 -0.135166D+01 -0.142633D+01
                61            62            63            64            65 
      1  -0.152149D+01 -0.509554D+00 -0.161562D+00  0.806805D+01  0.640631D+00
      2  -0.509554D+00 -0.311803D+01 -0.356089D+01  0.640631D+00  0.100323D+01
      3  -0.161562D+00 -0.356089D+01 -0.804299D+01  0.260155D+01  0.402539D+00
                66            67            68            69            70 
      1   0.260155D+01  0.303017D+01  0.183112D+01  0.895861D+00  0.428415D+01
      2   0.402539D+00  0.183112D+01 -0.455435D-01  0.721318D+00  0.146839D+00
      3   0.190798D+01  0.895861D+00  0.721318D+00  0.110811D+01  0.256253D+01
                71            72            73            74            75 
      1   0.146839D+00  0.256253D+01  0.136155D+01 -0.143391D+01  0.468495D+00
      2   0.104560D+01  0.552138D+00 -0.143391D+01  0.768277D+00  0.344428D-02
      3   0.552138D+00  0.177793D+01  0.468495D+00  0.344428D-02  0.979808D-01
                76            77            78            79            80 
      1  -0.419447D+01  0.510519D+01  0.142022D+00  0.115802D+01 -0.407110D+00
      2   0.510519D+01 -0.116953D+02  0.168409D+00 -0.407110D+00  0.824499D+00
      3   0.142022D+00  0.168409D+00 -0.979111D+00  0.778179D+00 -0.126270D+01
                81            82            83            84            85 
      1   0.778179D+00  0.111378D+01  0.413779D+00 -0.770600D+00  0.115755D+01
      2  -0.126270D+01  0.413779D+00  0.267037D+00  0.671411D-01  0.626867D+00
      3   0.359383D-01 -0.770600D+00  0.671411D-01  0.885624D+00 -0.389381D+00
                86            87            88            89            90 
      1   0.626867D+00 -0.389381D+00 -0.222658D+01  0.429475D+00  0.215304D+01
      2  -0.393951D+00 -0.799249D+00  0.429475D+00 -0.120791D+01  0.287840D+00
      3  -0.799249D+00  0.145034D+01  0.215304D+01  0.287840D+00 -0.650175D+01
                91            92            93            94            95 
      1  -0.806839D+01  0.641075D+00 -0.260109D+01  0.303118D+01 -0.183155D+01
      2   0.641075D+00 -0.100359D+01  0.402712D+00 -0.183155D+01 -0.451124D-01
      3  -0.260109D+01  0.402712D+00 -0.190752D+01  0.896022D+00 -0.721516D+00
                96            97            98            99           100 
      1   0.896022D+00 -0.428337D+01  0.146959D+00 -0.256199D+01 -0.136212D+01
      2  -0.721516D+00  0.146959D+00 -0.104575D+01  0.552214D+00 -0.143432D+01
      3   0.110819D+01 -0.256199D+01  0.552214D+00 -0.177707D+01 -0.468655D+00
               101           102           103           104           105 
      1  -0.143432D+01 -0.468655D+00 -0.419453D+01 -0.510558D+01  0.141645D+00
      2  -0.768995D+00  0.332599D-02 -0.510558D+01 -0.116950D+02 -0.169548D+00
      3   0.332599D-02 -0.980204D-01  0.141645D+00 -0.169548D+00 -0.979202D+00
               106           107           108           109           110 
      1  -0.115891D+01 -0.408007D+00 -0.778154D+00 -0.111343D+01  0.413685D+00
      2  -0.408007D+00 -0.826215D+00 -0.126279D+01  0.413685D+00 -0.266985D+00
      3  -0.778154D+00 -0.126279D+01 -0.363335D-01  0.770515D+00  0.672887D-01
               111           112           113           114           115 
      1   0.770515D+00  0.115716D+01 -0.626837D+00 -0.389103D+00  0.222647D+01
      2   0.672887D-01 -0.626837D+00 -0.394210D+00  0.799033D+00  0.429586D+00
      3  -0.885285D+00 -0.389103D+00  0.799033D+00  0.144964D+01 -0.215283D+01
               116           117 
      1   0.429586D+00 -0.215283D+01
      2   0.120765D+01  0.287193D+00
      3   0.287193D+00  0.650264D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.118931D+01  0.383194D+01 -0.774280D+00 -0.570129D+00 -0.991507D+01
      2   0.221134D+01 -0.257662D+01  0.284187D+01  0.184290D+01 -0.319772D+01
      3   0.193647D+01 -0.781454D+01  0.243038D+01  0.684408D+00 -0.632197D+00
                 6             7             8             9            10 
      1   0.247229D+01 -0.535730D+01  0.866306D+01 -0.219063D+01  0.118894D+01
      2   0.293532D+01 -0.819486D+01  0.938944D+01 -0.637209D+01  0.221081D+01
      3   0.137437D+01  0.776796D+00  0.708212D-01 -0.283134D+01 -0.193548D+01
                11            12            13            14            15 
      1   0.383173D+01  0.774504D+00 -0.570522D+00  0.991444D+01  0.247235D+01
      2   0.257679D+01  0.284218D+01 -0.184266D+01 -0.319724D+01 -0.293526D+01
      3  -0.781459D+01 -0.243023D+01  0.685324D+00  0.633055D+00  0.137417D+01
                16            17            18            19            20 
      1   0.535747D+01  0.866298D+01  0.219081D+01  0.258142D-03 -0.888614D+01
      2  -0.819520D+01 -0.938923D+01 -0.637265D+01  0.471089D+01  0.110288D-03
      3  -0.776779D+00  0.704915D-01  0.283097D+01 -0.203511D-03 -0.114863D+02
                21            22            23            24            25 
      1  -0.100350D-03 -0.401367D+01  0.326959D-04 -0.161693D+02 -0.279734D-04
      2   0.759062D+01 -0.476836D-04  0.552449D+01  0.000000D+00 -0.102413D+02
      3  -0.158959D-03  0.187704D+02 -0.574071D-03  0.282635D+00 -0.364804D-03
                26            27            28            29            30 
      1   0.748628D+01  0.657999D-04 -0.163322D+01 -0.628869D+00 -0.221517D+01
      2  -0.669205D-04  0.452170D+00 -0.102045D+02 -0.225360D+00 -0.253495D+01
      3   0.398477D+01  0.469651D-04  0.104188D+02  0.173714D+01  0.387869D+01
                31            32            33            34            35 
      1  -0.532957D+00 -0.733856D+00 -0.350246D+01 -0.354782D+01  0.767756D+00
      2  -0.413236D+01  0.143379D+01 -0.646432D+01 -0.998864D+01 -0.284007D+01
      3   0.181217D+02 -0.197469D+02  0.165469D+01  0.426607D+01  0.188178D+01
                36            37            38            39            40 
      1   0.612257D+01  0.163286D+01 -0.628662D+00  0.221393D+01 -0.532123D+00
      2   0.992616D+01 -0.102029D+02  0.226015D+00 -0.253281D+01  0.413160D+01
      3   0.797026D+01 -0.104208D+02  0.173924D+01 -0.387943D+01  0.181248D+02
                41            42            43            44            45 
      1   0.736101D+00 -0.350106D+01  0.354612D+01  0.768440D+00 -0.612358D+01
      2   0.142889D+01  0.646271D+01 -0.998571D+01  0.283889D+01  0.993022D+01
      3   0.197447D+02  0.165962D+01 -0.426547D+01  0.188644D+01 -0.796728D+01
                46            47            48            49            50 
      1  -0.696120D+00  0.468060D+00 -0.367077D+00  0.721617D+00 -0.163949D-01
      2   0.182317D+01  0.139989D+01 -0.975583D-01  0.205832D+01  0.124612D+01
      3   0.484614D+00  0.129881D+00 -0.619829D+00  0.211943D+01  0.168933D+01
                51            52            53            54            55 
      1  -0.275283D+01 -0.126545D+01  0.278307D+01  0.289538D+01  0.696078D+00
      2  -0.260619D+01 -0.281879D+01 -0.420848D+01  0.751809D+01  0.182326D+01
      3  -0.182485D+01 -0.142770D+01 -0.250473D+01  0.284377D+01 -0.484619D+00
                56            57            58            59            60 
      1   0.468103D+00  0.367222D+00  0.721686D+00  0.165335D-01 -0.275285D+01
      2  -0.139988D+01 -0.976398D-01 -0.205836D+01  0.124614D+01  0.260633D+01
      3   0.130024D+00  0.619942D+00  0.211954D+01 -0.168937D+01 -0.182491D+01
                61            62            63            64            65 
      1   0.126544D+01  0.278303D+01 -0.289540D+01  0.210692D+01  0.740397D+00
      2  -0.281867D+01  0.420848D+01  0.751800D+01  0.523201D+01  0.100376D+01
      3   0.142763D+01 -0.250490D+01 -0.284375D+01 -0.105466D+02 -0.558765D+01
                66            67            68            69            70 
      1   0.133761D+01  0.100071D+01  0.495936D+00  0.219507D-01  0.118568D+01
      2   0.691242D+01  0.209685D+01  0.125263D+01  0.362399D+01  0.396726D+01
      3  -0.386247D+01 -0.534529D+01 -0.236800D+01 -0.264836D+01 -0.513248D+01
                71            72            73            74            75 
      1   0.185071D+01  0.866475D+00 -0.275325D+00 -0.922838D-01  0.991683D+00
      2   0.148560D+01  0.454192D+01  0.395768D+00 -0.100594D+00  0.169508D+01
      3  -0.340306D+01 -0.386854D+01  0.118230D+00 -0.189978D+01 -0.240432D+00
                76            77            78            79            80 
      1   0.885993D+00  0.375511D+00 -0.452574D+01  0.123847D+01 -0.770126D+00
      2   0.213623D+01 -0.165398D+01 -0.338427D+01  0.858293D+00 -0.211340D+01
      3  -0.430814D+01  0.234656D+02 -0.743829D+00 -0.412633D+00 -0.122158D+01
                81            82            83            84            85 
      1  -0.630452D+00 -0.912783D+00  0.123704D+00  0.114402D+01  0.527693D+00
      2  -0.635977D+00 -0.183921D+01  0.465329D+00  0.299485D+01  0.106733D+01
      3   0.100535D+01 -0.139650D+01 -0.114247D+01  0.964882D+00 -0.599340D+00
                86            87            88            89            90 
      1  -0.165150D+01  0.764155D+00  0.220729D+01  0.328317D+01 -0.694957D+01
      2  -0.184304D+01  0.335874D+01  0.123920D+01  0.134023D+01 -0.151785D+02
      3  -0.750189D+00  0.202105D+01  0.181715D+01  0.318445D+01 -0.415236D+01
                91            92            93            94            95 
      1  -0.210603D+01  0.740420D+00 -0.133695D+01  0.100058D+01 -0.496018D+00
      2   0.523076D+01 -0.100430D+01  0.691128D+01 -0.209708D+01  0.125312D+01
      3   0.105485D+02 -0.558874D+01  0.386247D+01 -0.534764D+01  0.236970D+01
                96            97            98            99           100 
      1   0.217175D-01 -0.118494D+01  0.185055D+01 -0.865699D+00  0.275275D+00
      2  -0.362446D+01  0.396607D+01 -0.148567D+01  0.453951D+01  0.395852D+00
      3  -0.264931D+01  0.513242D+01 -0.340322D+01  0.386806D+01 -0.118242D+00
               101           102           103           104           105 
      1  -0.923705D-01 -0.991843D+00  0.885396D+00 -0.376454D+00 -0.452595D+01
      2   0.100676D+00  0.169513D+01 -0.213557D+01 -0.165103D+01  0.338449D+01
      3  -0.190126D+01  0.240362D+00 -0.430919D+01 -0.234644D+02 -0.746317D+00
               106           107           108           109           110 
      1  -0.123816D+01 -0.770277D+00  0.629600D+00  0.912451D+00  0.123970D+00
      2   0.857457D+00  0.211310D+01 -0.635009D+00 -0.183928D+01 -0.465747D+00
      3   0.412187D+00 -0.122475D+01 -0.100568D+01  0.139580D+01 -0.114236D+01
               111           112           113           114           115 
      1  -0.114356D+01  0.527782D+00  0.165068D+01  0.763324D+00 -0.220678D+01
      2   0.299393D+01 -0.106716D+01 -0.184216D+01 -0.335707D+01  0.123829D+01
      3  -0.964242D+00 -0.599355D+00  0.749264D+00  0.201987D+01 -0.181682D+01
               116           117 
      1   0.328281D+01  0.695050D+01
      2  -0.133883D+01 -0.151807D+02
      3   0.318350D+01  0.415050D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.545130D+00 -0.560474D+01  0.366285D+01  0.285482D+00  0.998846D+01
      2  -0.155289D+01  0.881199D+01 -0.597200D+01  0.308698D+01 -0.453606D+01
      3   0.209802D+01 -0.320725D+01  0.230915D+01 -0.337246D+01 -0.545240D+01
      4  -0.191793D+01 -0.248853D+00 -0.171512D+01 -0.145452D+01 -0.149540D+01
      5   0.568011D+01 -0.188276D+01 -0.803650D+00 -0.292858D+00 -0.358051D+01
      6  -0.180846D+01 -0.254963D+01  0.368003D+01  0.252468D+00  0.516335D+01
                 6             7             8             9            10 
      1  -0.654011D+01  0.167133D+01 -0.495805D+01  0.848598D+01 -0.542970D+00
      2   0.495374D+01 -0.219506D+01  0.239982D+01 -0.329199D+00 -0.155489D+01
      3   0.158638D+01  0.523728D+00  0.255822D+01 -0.815678D+01  0.209786D+01
      4   0.506597D+00 -0.299961D+00 -0.132245D+01 -0.294818D+01  0.191778D+01
      5   0.867946D+01  0.589861D+01  0.617615D+00 -0.751711D+01  0.567986D+01
      6  -0.113835D+02 -0.226936D+01 -0.839723D+00  0.719649D+01  0.180875D+01
                11            12            13            14            15 
      1   0.560578D+01  0.366331D+01 -0.284625D+00  0.999093D+01  0.654049D+01
      2  -0.881234D+01 -0.597264D+01 -0.308722D+01 -0.453773D+01 -0.495378D+01
      3   0.320656D+01  0.230933D+01  0.337185D+01 -0.545320D+01 -0.158671D+01
      4  -0.248495D+00  0.171490D+01 -0.145430D+01  0.149578D+01  0.507336D+00
      5   0.188365D+01 -0.803204D+00  0.293741D+00 -0.357842D+01 -0.867907D+01
      6  -0.254931D+01 -0.368010D+01  0.253180D+00 -0.516300D+01 -0.113839D+02
                16            17            18            19            20 
      1   0.167126D+01  0.495755D+01  0.848492D+01  0.768193D+01 -0.273020D-03
      2  -0.219499D+01 -0.239933D+01 -0.328626D+00  0.546974D+01  0.142650D-03
      3   0.523734D+00 -0.255823D+01 -0.815629D+01 -0.131517D+02  0.130369D-03
      4   0.300014D+00 -0.132201D+01  0.294887D+01  0.703255D-04  0.364413D+02
      5   0.589724D+01 -0.617286D+00 -0.751775D+01 -0.228984D+01 -0.226742D-03
      6   0.226966D+01 -0.839633D+00 -0.719716D+01 -0.142915D-03  0.977281D+01
                21            22            23            24            25 
      1  -0.733635D+01 -0.564412D-03 -0.529182D+02 -0.347991D-03 -0.186726D+01
      2   0.889854D+01  0.378927D-03  0.785931D+02  0.405686D-03  0.735636D+01
      3  -0.156219D+01  0.185484D-03 -0.256749D+02 -0.576953D-04 -0.548910D+01
      4   0.601220D-04  0.267306D+02  0.228262D-04  0.367135D+00 -0.978603D-04
      5   0.185985D+02 -0.508175D-03  0.562391D+01 -0.590113D-04  0.148798D+02
      6   0.132572D-05  0.260833D+01 -0.909336D-04  0.349232D+02 -0.980794D-04
                26            27            28            29            30 
      1  -0.255223D-03 -0.224686D+02 -0.125190D+02 -0.123215D+02 -0.165116D+02
      2   0.287796D-03  0.638488D+00  0.100072D+02  0.103461D+02  0.979152D+01
      3  -0.325724D-04  0.218301D+02  0.251185D+01  0.197540D+01  0.672009D+01
      4   0.398281D+01 -0.201157D-03 -0.106170D+02 -0.224433D+01 -0.642717D-01
      5  -0.378027D-03 -0.223341D+01 -0.203031D+02 -0.167525D+01 -0.863490D+01
      6   0.341154D+02 -0.435820D-04  0.335063D+01 -0.322362D+00  0.221802D+01
                31            32            33            34            35 
      1  -0.177135D+02  0.412630D+01 -0.604622D+01 -0.200726D+02 -0.189663D+01
      2   0.192852D+02 -0.217500D+02  0.267602D+01  0.908499D+01  0.139580D+01
      3  -0.157170D+01  0.176237D+02  0.337019D+01  0.109876D+02  0.500827D+00
      4  -0.141945D+02  0.336576D+02 -0.232723D+01  0.709919D+00 -0.373112D+01
      5  -0.286870D+01 -0.294238D+01 -0.117275D+02 -0.124067D+02 -0.759137D+01
      6  -0.299202D+00  0.183768D+01  0.284618D+01  0.167553D+01  0.398822D+01
                36            37            38            39            40 
      1  -0.896876D+01 -0.125230D+02  0.123234D+02 -0.165107D+02  0.177171D+02
      2   0.138578D+02  0.100090D+02 -0.103489D+02  0.979129D+01 -0.192881D+02
      3  -0.488908D+01  0.251397D+01 -0.197443D+01  0.671943D+01  0.157103D+01
      4  -0.658505D+01  0.106190D+02 -0.224817D+01  0.660169D-01 -0.141996D+02
      5   0.181470D+02 -0.203012D+02  0.167563D+01 -0.863040D+01  0.286868D+01
      6  -0.686664D+01 -0.335014D+01 -0.322768D+00 -0.221695D+01 -0.302302D+00
                41            42            43            44            45 
      1   0.411946D+01  0.604998D+01 -0.200709D+02  0.189942D+01 -0.896133D+01
      2  -0.217458D+02 -0.268195D+01  0.908272D+01 -0.140248D+01  0.138537D+02
      3   0.176263D+02 -0.336803D+01  0.109882D+02 -0.496944D+00 -0.489239D+01
      4  -0.336578D+02 -0.233450D+01 -0.709849D+00 -0.373882D+01  0.658234D+01
      5  -0.295099D+01  0.117233D+02 -0.124006D+02  0.758818D+01  0.181537D+02
      6  -0.184429D+01  0.284528D+01 -0.167526D+01  0.398698D+01  0.687043D+01
                46            47            48            49            50 
      1   0.115774D+01 -0.166782D+01  0.295825D+01 -0.113357D+01 -0.695125D+01
      2  -0.301178D+01  0.421630D+00 -0.368326D+00  0.117694D+01  0.206920D+01
      3   0.185404D+01  0.124619D+01 -0.258992D+01 -0.433718D-01  0.488205D+01
      4  -0.548261D+00  0.342175D+01 -0.225446D+01  0.312747D+01 -0.386925D+00
      5   0.302873D-02 -0.201507D+01  0.557336D+01 -0.168108D+01  0.218704D+01
      6  -0.195738D+01 -0.219172D+01  0.106751D+01 -0.562397D+00 -0.644344D+01
                51            52            53            54            55 
      1   0.522044D+01  0.210390D+01  0.598714D+01 -0.179917D+02  0.115797D+01
      2  -0.840324D+00 -0.196032D+01  0.354112D+01 -0.104993D+02 -0.301174D+01
      3  -0.438012D+01 -0.143573D+00 -0.952826D+01  0.284909D+02  0.185376D+01
      4   0.374423D+00 -0.315991D+01  0.117857D+01  0.470820D+00  0.548215D+00
      5  -0.273901D+01  0.304484D+01 -0.352391D+01  0.869301D+01  0.320921D-02
      6   0.120526D+02 -0.293472D+00  0.906740D+01 -0.157409D+02  0.195747D+01
                56            57            58            59            60 
      1   0.166796D+01  0.295842D+01  0.113368D+01 -0.695137D+01 -0.522062D+01
      2  -0.421766D+00 -0.368292D+00 -0.117736D+01  0.206901D+01  0.840356D+00
      3  -0.124620D+01 -0.259013D+01  0.436770D-01  0.488236D+01  0.438026D+01
      4   0.342174D+01  0.225457D+01  0.312727D+01  0.386701D+00  0.374317D+00
      5   0.201512D+01  0.557319D+01  0.168071D+01  0.218682D+01  0.273923D+01
      6  -0.219181D+01 -0.106768D+01 -0.562445D+00  0.644360D+01  0.120528D+02
                61            62            63            64            65 
      1   0.210374D+01 -0.598701D+01 -0.179914D+02  0.491235D+02  0.690999D+01
      2  -0.196006D+01 -0.354121D+01 -0.104994D+02 -0.295738D+02 -0.568287D+01
      3  -0.143672D+00  0.952822D+01  0.284908D+02 -0.195497D+02 -0.122712D+01
      4   0.316002D+01  0.117868D+01 -0.471045D+00  0.141118D+01  0.730393D+01
      5   0.304497D+01  0.352381D+01  0.869276D+01  0.181256D+02  0.241267D+01
      6   0.293303D+00  0.906747D+01  0.157413D+02 -0.185677D+01  0.133576D+00
                66            67            68            69            70 
      1   0.150415D+02  0.174072D+02  0.541216D+01  0.477526D+01  0.206737D+02
      2  -0.975592D+01 -0.114308D+02 -0.924636D+00 -0.367211D+01 -0.142485D+02
      3  -0.528556D+01 -0.597634D+01 -0.448752D+01 -0.110315D+01 -0.642518D+01
      4   0.108151D+01  0.103605D+02  0.244288D+01  0.419709D+01 -0.199605D+00
      5   0.139388D+02  0.613147D+01  0.408273D+01  0.673331D+01  0.173225D+02
      6  -0.252307D+01  0.717524D+00  0.870785D+00  0.844025D+00 -0.152825D+01
                71            72            73            74            75 
      1   0.165124D+01  0.102999D+02  0.639751D+01 -0.525490D+01  0.207107D+01
      2  -0.223920D+01 -0.108707D+02  0.616820D+00 -0.583526D+00 -0.114575D+01
      3   0.587959D+00  0.570811D+00 -0.701432D+01  0.583842D+01 -0.925313D+00
      4   0.505078D+01  0.212796D+01 -0.923154D+01  0.122942D+02  0.179372D+00
      5   0.289709D+01  0.121092D+02  0.179733D+01  0.288536D+00  0.277099D+01
      6   0.125252D+01 -0.656105D+00 -0.672469D-01 -0.220474D+00 -0.111413D+01
                76            77            78            79            80 
      1  -0.641700D+01 -0.125739D+02  0.123876D+01  0.361165D+01  0.105538D+00
      2  -0.741331D+01  0.391003D+02 -0.164408D+01 -0.185197D+01 -0.902091D+00
      3   0.138303D+02 -0.265264D+02  0.405325D+00 -0.175968D+01  0.796553D+00
      4   0.257815D+02 -0.486509D+02  0.815353D+00 -0.114220D+01  0.224024D+01
      5   0.879794D+00  0.827183D+00 -0.569892D+01  0.509296D+01 -0.551513D+01
      6  -0.509621D+00  0.371530D+00  0.728363D+01 -0.347349D+01  0.781966D+01
                81            82            83            84            85 
      1  -0.653472D+00  0.603009D+01  0.180495D+01 -0.362244D+01  0.557540D+01
      2   0.181830D+01 -0.596307D+01 -0.147792D+01  0.303554D+01 -0.459757D+01
      3  -0.116483D+01 -0.670230D-01 -0.327035D+00  0.586901D+00 -0.977831D+00
      4  -0.461233D+01  0.129575D+01  0.189253D+01  0.831238D-01  0.312905D+01
      5  -0.363694D+00 -0.420923D+01 -0.528151D+00  0.906970D+01 -0.210445D+01
      6  -0.241769D+00  0.299986D+00  0.264286D+00 -0.122137D+01 -0.954437D+00
                86            87            88            89            90 
      1  -0.636779D+00 -0.582021D-01 -0.702035D+01 -0.124966D+00 -0.746850D+00
      2   0.932096D+00  0.286424D+01  0.752708D+01  0.231341D+01 -0.151054D+02
      3  -0.295317D+00 -0.280604D+01 -0.506724D+00 -0.218845D+01  0.158523D+02
      4  -0.635993D+00 -0.380129D+01  0.266074D+01 -0.540746D+01  0.245136D+01
      5  -0.338655D+01  0.675077D+01  0.137226D+02  0.210829D+01 -0.300030D+02
      6  -0.425372D+00  0.210942D+01 -0.236567D+01  0.229409D+01  0.837953D+01
                91            92            93            94            95 
      1   0.491257D+02 -0.691352D+01  0.150390D+02 -0.174129D+02  0.541467D+01
      2  -0.295750D+02  0.568510D+01 -0.975437D+01  0.114342D+02 -0.925870D+00
      3  -0.195507D+02  0.122841D+01 -0.528466D+01  0.597872D+01 -0.448880D+01
      4  -0.141594D+01  0.730492D+01 -0.108303D+01  0.103626D+02 -0.244549D+01
      5   0.181216D+02 -0.241372D+01  0.139359D+02 -0.613209D+01  0.408353D+01
      6   0.185554D+01  0.133170D+00  0.252209D+01  0.717512D+00 -0.870377D+00
                96            97            98            99           100 
      1  -0.477641D+01  0.206702D+02 -0.165209D+01  0.102976D+02  0.639971D+01
      2   0.367303D+01 -0.142457D+02  0.224021D+01 -0.108683D+02  0.616155D+00
      3   0.110338D+01 -0.642443D+01 -0.588123D+00  0.570761D+00 -0.701586D+01
      4   0.419783D+01  0.197738D+00  0.505070D+01 -0.212909D+01  0.923385D+01
      5  -0.673398D+01  0.173188D+02 -0.289774D+01  0.121040D+02  0.179834D+01
      6   0.843729D+00  0.152680D+01  0.125235D+01  0.654247D+00  0.683357D-01
               101           102           103           104           105 
      1   0.525511D+01  0.207174D+01  0.641717D+01 -0.125701D+02 -0.124052D+01
      2   0.584911D+00 -0.114574D+01  0.741419D+01  0.390972D+02  0.164735D+01
      3  -0.584002D+01 -0.925995D+00 -0.138314D+02 -0.265272D+02 -0.406829D+00
      4   0.122969D+02 -0.178069D+00  0.257840D+02  0.486518D+02  0.820187D+00
      5  -0.287223D+00  0.277101D+01 -0.877404D+00  0.832624D+00  0.569966D+01
      6  -0.219933D+00  0.111453D+01 -0.507094D+00 -0.365293D+00  0.728364D+01
               106           107           108           109           110 
      1   0.361319D+01 -0.106796D+00 -0.653921D+00  0.602806D+01 -0.180443D+01
      2  -0.185211D+01  0.905502D+00  0.181861D+01 -0.596181D+01  0.147747D+01
      3  -0.176108D+01 -0.798706D+00 -0.116469D+01 -0.662509D-01  0.326951D+00
      4   0.114569D+01  0.224679D+01  0.461313D+01 -0.129518D+01  0.189246D+01
      5   0.509270D+01  0.551594D+01 -0.361737D+00 -0.420828D+01  0.526926D+00
      6   0.347384D+01  0.781979D+01  0.244313D+00 -0.300589D+00  0.264160D+00
               111           112           113           114           115 
      1  -0.362191D+01 -0.557382D+01 -0.636974D+00  0.574151D-01 -0.701935D+01
      2   0.303460D+01  0.459654D+01  0.932387D+00 -0.286272D+01  0.752605D+01
      3   0.587309D+00  0.977283D+00 -0.295413D+00  0.280531D+01 -0.506707D+00
      4  -0.844644D-01  0.312903D+01  0.637824D+00 -0.379991D+01 -0.266251D+01
      5   0.906834D+01  0.210269D+01 -0.338500D+01 -0.674724D+01  0.137212D+02
      6   0.122111D+01 -0.954177D+00  0.425051D+00  0.211054D+01  0.236645D+01
               116           117 
      1   0.124813D+00 -0.750768D+00
      2  -0.231194D+01 -0.151044D+02
      3   0.218713D+01  0.158552D+02
      4  -0.540671D+01 -0.244859D+01
      5  -0.210511D+01 -0.300058D+02
      6   0.229540D+01 -0.838351D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.857373D+00      0.217922D+01      0.726911D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y         -0.857373D+00     -0.217922D+01     -0.726911D+01
   z          0.000000D+00      0.000000D+00      0.000000D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.661957D+02      0.980919D+01      0.109142D+02
   aniso      0.181497D+02      0.268950D+01      0.299247D+01
   xx         0.713328D+02      0.105704D+02      0.117612D+02
   yx        -0.252441D-04     -0.374078D-05     -0.416218D-05
   yy         0.729207D+02      0.108057D+02      0.120230D+02
   zx         0.190755D+01      0.282670D+00      0.314512D+00
   zy         0.152110D-03      0.225403D-04      0.250795D-04
   zz         0.543334D+02      0.805139D+01      0.895838D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.746455D+02      0.110613D+02      0.123074D+02
   aniso      0.183503D+02      0.271923D+01      0.302555D+01
   xx         0.802291D+02      0.118887D+02      0.132280D+02
   yx        -0.109051D-04     -0.161597D-05     -0.179801D-05
   yy         0.812799D+02      0.120444D+02      0.134012D+02
   zx        -0.102656D+00     -0.152121D-01     -0.169258D-01
   zy         0.129977D-03      0.192607D-04      0.214304D-04
   zz         0.624276D+02      0.925082D+01      0.102929D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.13286900          0.81515011          0.69897180
     6         -1.13286777         -0.81515026          0.69898333
    16         -0.00000159         -0.00000351         -2.47732323
     6          3.66386852         -0.17791381          1.53375679
     6         -3.66386502          0.17791726          1.53374681
     1          0.78491925          2.78418311          1.15931387
     1         -0.78490771         -2.78417580          1.15934796
     1          5.20040593          0.90919957          0.69395049
     1          3.83712300         -0.04598415          3.59026126
     1          3.89398470         -2.14851187          0.97868050
     1         -5.20040845         -0.90895217          0.69362816
     1         -3.83728941          0.04562999          3.59021235
     1         -3.89382273          2.14862693          0.97900207

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.857373D+00      0.217922D+01      0.726911D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.857373D+00      0.217922D+01      0.726911D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.661957D+02      0.980919D+01      0.109142D+02
   aniso      0.181497D+02      0.268950D+01      0.299247D+01
   xx         0.713328D+02      0.105704D+02      0.117612D+02
   yx         0.190760D+01      0.282678D+00      0.314521D+00
   yy         0.543335D+02      0.805139D+01      0.895838D+01
   zx         0.204132D-04      0.302492D-05      0.336568D-05
   zy        -0.148075D-03     -0.219425D-04     -0.244143D-04
   zz         0.729207D+02      0.108057D+02      0.120230D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.746455D+02      0.110613D+02      0.123074D+02
   aniso      0.183503D+02      0.271923D+01      0.302555D+01
   xx         0.802291D+02      0.118887D+02      0.132280D+02
   yx        -0.102600D+00     -0.152037D-01     -0.169164D-01
   yy         0.624276D+02      0.925082D+01      0.102929D+02
   zx         0.000000D+00      0.000000D+00      0.000000D+00
   zy        -0.132350D-03     -0.196123D-04     -0.218216D-04
   zz         0.812799D+02      0.120444D+02      0.134012D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U22-04\Freq\RB3LYP\Gen\C4H8S1\PIERPA\22-Jul-2021\0\\#P B3
 LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm,M
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 THE MOST INCOMPREHENSIBLE THING ABOUT THE WORLD
 IS THAT IT IS COMPREHENSIBLE. -- A. EINSTEIN
 Job cpu time:       0 days  1 hours  5 minutes 57.9 seconds.
 Elapsed time:       0 days  0 hours  8 minutes 16.6 seconds.
 File lengths (MBytes):  RWF=    237 Int=      0 D2E=      0 Chk=      7 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul 22 18:16:14 2021.
